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

C20H17NO4 — CID 651568

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(C(=O)N3CCCc4ccccc43)cc2c1
InChIInChI=1S/C20H17NO4/c1-24-15-8-9-18-14(11-15)12-16(20(23)25-18)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
InChIKeyGZLOAUXBFCRVBF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.39
Rot. Bonds2

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

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one (PubChem CID 651568) 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)-6-methoxychromen-2-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one
PubChem CID651568
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(C(=O)N3CCCc4ccccc43)cc2c1
InChIInChI=1S/C20H17NO4/c1-24-15-8-9-18-14(11-15)12-16(20(23)25-18)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
InChIKeyGZLOAUXBFCRVBF-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one (CID 651568) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one is COc1ccc2oc(=O)c(C(=O)N3CCCc4ccccc43)cc2c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxychromen-2-one?
The InChIKey is GZLOAUXBFCRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-15-8-9-18-14(11-15)12-16(20(23)25-18)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)-6-methoxychromen-2-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-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)-6-methoxychromen-2-one is sourced from PubChem (CID 651568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).