6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C20H22N2O4 — CID 5299707

IUPAC6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)NC(C)c1ccccc1)CC(=O)N2
InChIInChI=1S/C20H22N2O4/c1-12(13-7-5-4-6-8-13)21-20(24)15-10-19(23)22-16-11-18(26-3)17(25-2)9-14(15)16/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyOOZHDKGRQRXGFP-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds5

About 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 5299707) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID5299707
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)NC(C)c1ccccc1)CC(=O)N2
InChIInChI=1S/C20H22N2O4/c1-12(13-7-5-4-6-8-13)21-20(24)15-10-19(23)22-16-11-18(26-3)17(25-2)9-14(15)16/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyOOZHDKGRQRXGFP-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 5299707) is 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cc2c(cc1OC)C(C(=O)NC(C)c1ccccc1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is OOZHDKGRQRXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(13-7-5-4-6-8-13)21-20(24)15-10-19(23)22-16-11-18(26-3)17(25-2)9-14(15)16/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 5299707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).