3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide

C18H24N2O4 — CID 110298935

IUPAC3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
SMILESCOc1cc2cc(CCC(=O)NCC(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C18H24N2O4/c1-11(2)10-19-17(21)6-5-12-7-13-8-15(23-3)16(24-4)9-14(13)20-18(12)22/h7-9,11H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPWPTYUCMNLBCTD-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.25
Rot. Bonds7

About 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide

3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide (PubChem CID 110298935) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
PubChem CID110298935
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
SMILESCOc1cc2cc(CCC(=O)NCC(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C18H24N2O4/c1-11(2)10-19-17(21)6-5-12-7-13-8-15(23-3)16(24-4)9-14(13)20-18(12)22/h7-9,11H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPWPTYUCMNLBCTD-UHFFFAOYSA-N
XLogP2.25
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
CID 110617828
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310874
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 1149754
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)thiourea
CID 1375390
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110324991
1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 1149734
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide (CID 110298935) is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide is COc1cc2cc(CCC(=O)NCC(C)C)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is PWPTYUCMNLBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(2)10-19-17(21)6-5-12-7-13-8-15(23-3)16(24-4)9-14(13)20-18(12)22/h7-9,11H,5-6,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide?
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 332.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 110298935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).