1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

C15H18N2O4 — CID 102711326

IUPAC1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCNC(=O)CCCN1C(=O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O4/c1-16-13(18)3-2-8-17-12-6-4-11(15(20)21)9-10(12)5-7-14(17)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyOOUJOPPTKFAEPU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.19
Rot. Bonds5

About 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 102711326) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID102711326
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCNC(=O)CCCN1C(=O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O4/c1-16-13(18)3-2-8-17-12-6-4-11(15(20)21)9-10(12)5-7-14(17)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyOOUJOPPTKFAEPU-UHFFFAOYSA-N
XLogP1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid 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

1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
1-(4-cyanobutyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711347
4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
CID 63892702
1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711321
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711309
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711329
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
CID 63892508
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (CID 102711326) is 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is CNC(=O)CCCN1C(=O)CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is OOUJOPPTKFAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-13(18)3-2-8-17-12-6-4-11(15(20)21)9-10(12)5-7-14(17)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 102711326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).