200,000+ products from a single source!
sales@angenechem.com
7400-76-2 | 3-(1h,5h-pyrido[3,2,1-ij]quinolin-3-ylmethyl)-2,3,4a,8a-tetrahydro-4h-chromen-4-one
CAS No: 7400-76-2 Catalog No: AG005A2G MDL No:
Product Description
Catalog Number:
AG005A2G
Chemical Name:
3-(1h,5h-pyrido[3,2,1-ij]quinolin-3-ylmethyl)-2,3,4a,8a-tetrahydro-4h-chromen-4-one
CAS Number:
7400-76-2
Molecular Formula:
C22H21NO2
Molecular Weight:
331.4076
IUPAC Name:
3-(1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaen-2-ylmethyl)-2,3,4a,8a-tetrahydrochromen-4-one
InChI:
InChI=1S/C22H21NO2/c24-22-17(14-25-20-9-2-1-8-19(20)22)13-18-11-10-16-6-3-5-15-7-4-12-23(18)21(15)16/h1-9,11,17,19-20H,10,12-14H2
InChI Key:
QDSIOVIEVKNJIC-UHFFFAOYSA-N
SMILES:
O=C1C(COC2C1C=CC=C2)CC1=CCc2c3N1CC=Cc3ccc2
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.415g/mol
Monoisotopic Mass:
331.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.