6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid

C17H14ClN3O3 — CID 175895801

IUPAC6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)c1ccc(-n2cc(C(=O)O)c(=O)c3cc(Cl)ccc32)cn1
InChIInChI=1S/C17H14ClN3O3/c1-20(2)15-6-4-11(8-19-15)21-9-13(17(23)24)16(22)12-7-10(18)3-5-14(12)21/h3-9H,1-2H3,(H,23,24)
InChIKeyOGRJAAPGWFINNR-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.80
Rot. Bonds3

About 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid

6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 175895801) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID175895801
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)c1ccc(-n2cc(C(=O)O)c(=O)c3cc(Cl)ccc32)cn1
InChIInChI=1S/C17H14ClN3O3/c1-20(2)15-6-4-11(8-19-15)21-9-13(17(23)24)16(22)12-7-10(18)3-5-14(12)21/h3-9H,1-2H3,(H,23,24)
InChIKeyOGRJAAPGWFINNR-UHFFFAOYSA-N
XLogP2.80
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-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

6-chloro-7-[(2R,5R)-2-[(3-chloro-4-methoxy-2-pyridinyl)oxymethyl]-5-methylpyrrolidin-1-yl]-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
CID 156848626
6-chloro-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-7-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 156847853
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
CID 1485807
6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 23635151
6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 156848278
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
CID 156848078
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
1-[6-[2-(azetidin-1-yl)ethyl-methylamino]-3-pyridinyl]-6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 156848118
1-(6-amino-3-pyridinyl)-6-chloro-7-[3-[2-hydroxyethyl(methyl)amino]pyrazol-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 167509502
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346812
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 70481800

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid (CID 175895801) is 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid is CN(C)c1ccc(-n2cc(C(=O)O)c(=O)c3cc(Cl)ccc32)cn1.
What is the InChIKey of 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OGRJAAPGWFINNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-20(2)15-6-4-11(8-19-15)21-9-13(17(23)24)16(22)12-7-10(18)3-5-14(12)21/h3-9H,1-2H3,(H,23,24).
What are the key properties of 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?
6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 175895801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).