3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide

C21H30N2O4 — CID 110617828

IUPAC3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
SMILESCOc1cc2cc(CCC(=O)NCCCC(C)(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C21H30N2O4/c1-21(2,3)9-6-10-22-19(24)8-7-14-11-15-12-17(26-4)18(27-5)13-16(15)23-20(14)25/h11-13H,6-10H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyAFMVPIJYZGGNGL-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.42
Rot. Bonds8

About 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide

3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide (PubChem CID 110617828) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
PubChem CID110617828
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
SMILESCOc1cc2cc(CCC(=O)NCCCC(C)(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C21H30N2O4/c1-21(2,3)9-6-10-22-19(24)8-7-14-11-15-12-17(26-4)18(27-5)13-16(15)23-20(14)25/h11-13H,6-10H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyAFMVPIJYZGGNGL-UHFFFAOYSA-N
XLogP3.42
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-(2-methylpropyl)propanamide
CID 110298935
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310874
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331364
1-tert-butyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110662896
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide (CID 110617828) is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide is COc1cc2cc(CCC(=O)NCCCC(C)(C)C)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide?
The InChIKey is AFMVPIJYZGGNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(2,3)9-6-10-22-19(24)8-7-14-11-15-12-17(26-4)18(27-5)13-16(15)23-20(14)25/h11-13H,6-10H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide?
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide has a molecular weight of 374.48 g/mol, XLogP of 3.42, 8 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-(4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 110617828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).