3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one

C20H17NO4 — CID 5262372

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
SMILESCOc1ccc2cc(C(=O)N3CCCc4ccccc43)c(=O)oc2c1
InChIInChI=1S/C20H17NO4/c1-24-15-9-8-14-11-16(20(23)25-18(14)12-15)19(22)21-10-4-6-13-5-2-3-7-17(13)21/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyMJHMCOYHVHNLJC-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.39
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one (PubChem CID 5262372) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
PubChem CID5262372
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
SMILESCOc1ccc2cc(C(=O)N3CCCc4ccccc43)c(=O)oc2c1
InChIInChI=1S/C20H17NO4/c1-24-15-9-8-14-11-16(20(23)25-18(14)12-15)19(22)21-10-4-6-13-5-2-3-7-17(13)21/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyMJHMCOYHVHNLJC-UHFFFAOYSA-N
XLogP3.39
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 3236506
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
[3-(2,5-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl] 3,4-dihydro-2H-quinoline-1-carboxylate
CID 86589200
6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 2238171
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one (CID 5262372) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one is COc1ccc2cc(C(=O)N3CCCc4ccccc43)c(=O)oc2c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one?
The InChIKey is MJHMCOYHVHNLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-15-9-8-14-11-16(20(23)25-18(14)12-15)19(22)21-10-4-6-13-5-2-3-7-17(13)21/h2-3,5,7-9,11-12H,4,6,10H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one is sourced from PubChem (CID 5262372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).