3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one

C20H17NO3 — CID 1244202

IUPAC3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17NO3/c1-13-8-9-17-14(11-13)6-4-10-21(17)19(22)16-12-15-5-2-3-7-18(15)24-20(16)23/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyLRHVNEJHGBUAHD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.69
Rot. Bonds1

About 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one

3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one (PubChem CID 1244202) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one
PubChem CID1244202
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17NO3/c1-13-8-9-17-14(11-13)6-4-10-21(17)19(22)16-12-15-5-2-3-7-18(15)24-20(16)23/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyLRHVNEJHGBUAHD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
Coumarin 314
CID 72653
Coumarin 521
CID 72655
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
2-oxo-N-[4-(propan-2-yl)phenyl]-2H-chromene-3-carboxamide
CID 724176
N-(2-Benzylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 8438344
2,2,2-trifluoroacetic acid; 2-oxo-N-[5-phenyl-2-(piperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 11699482
6-methyl-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 24860446
6-methyl-N-(4-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 24860447

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one (CID 1244202) is 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one is Cc1ccc2c(c1)CCCN2C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
The InChIKey is LRHVNEJHGBUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-8-9-17-14(11-13)6-4-10-21(17)19(22)16-12-15-5-2-3-7-18(15)24-20(16)23/h2-3,5,7-9,11-12H,4,6,10H2,1H3.
What are the key properties of 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-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 3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one is sourced from PubChem (CID 1244202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).