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

C19H26N2O4 — CID 110298971

IUPAC3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
SMILESCOc1cc2cc(CCC(=O)NCCC(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H26N2O4/c1-12(2)7-8-20-18(22)6-5-13-9-14-10-16(24-3)17(25-4)11-15(14)21-19(13)23/h9-12H,5-8H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYCUIDPRXBBUZJZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.64
Rot. Bonds8

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

3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide (PubChem CID 110298971) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
PubChem CID110298971
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
SMILESCOc1cc2cc(CCC(=O)NCCC(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H26N2O4/c1-12(2)7-8-20-18(22)6-5-13-9-14-10-16(24-3)17(25-4)11-15(14)21-19(13)23/h9-12H,5-8H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYCUIDPRXBBUZJZ-UHFFFAOYSA-N
XLogP2.64
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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-(4,4-dimethylpentyl)propanamide
CID 110617828
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
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]-2-methylpropanamide
CID 110324984
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
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-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331364
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide (CID 110298971) is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide is COc1cc2cc(CCC(=O)NCCC(C)C)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is YCUIDPRXBBUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)7-8-20-18(22)6-5-13-9-14-10-16(24-3)17(25-4)11-15(14)21-19(13)23/h9-12H,5-8H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide?
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.64, 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 110298971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).