2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one

C20H17NO3 — CID 51074599

IUPAC2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one
SMILESCc1cccc2c1N(C(=O)c1cc(=O)c3ccccc3o1)CCC2
InChIInChI=1S/C20H17NO3/c1-13-6-4-7-14-8-5-11-21(19(13)14)20(23)18-12-16(22)15-9-2-3-10-17(15)24-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyRIWLBWROSWKGJG-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.69
Rot. Bonds1

About 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one

2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one (PubChem CID 51074599) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one
PubChem CID51074599
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one
SMILESCc1cccc2c1N(C(=O)c1cc(=O)c3ccccc3o1)CCC2
InChIInChI=1S/C20H17NO3/c1-13-6-4-7-14-8-5-11-21(19(13)14)20(23)18-12-16(22)15-9-2-3-10-17(15)24-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyRIWLBWROSWKGJG-UHFFFAOYSA-N
XLogP3.69
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
2,3-dihydro-1,4-benzodioxin-5-yl-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60596592
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one (CID 51074599) is 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one is Cc1cccc2c1N(C(=O)c1cc(=O)c3ccccc3o1)CCC2.
What is the InChIKey of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one?
The InChIKey is RIWLBWROSWKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-6-4-7-14-8-5-11-21(19(13)14)20(23)18-12-16(22)15-9-2-3-10-17(15)24-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3.
What are the key properties of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one?
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one is sourced from PubChem (CID 51074599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).