2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid

C24H21N3O2 — CID 170149298

IUPAC2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)cn3)cc(C(=O)O)c2c1
InChIInChI=1S/C24H21N3O2/c1-15-4-10-21-19(12-15)20(24(28)29)13-23(26-21)22-11-7-17(14-25-22)16-5-8-18(9-6-16)27(2)3/h4-14H,1-3H3,(H,28,29)
InChIKeyRRBYPPKBDFXMGD-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.04
Rot. Bonds4

About 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid

2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid (PubChem CID 170149298) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid
PubChem CID170149298
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)cn3)cc(C(=O)O)c2c1
InChIInChI=1S/C24H21N3O2/c1-15-4-10-21-19(12-15)20(24(28)29)13-23(26-21)22-11-7-17(14-25-22)16-5-8-18(9-6-16)27(2)3/h4-14H,1-3H3,(H,28,29)
InChIKeyRRBYPPKBDFXMGD-UHFFFAOYSA-N
XLogP5.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
N-ethyl-4-[6-(4-ethyl-6-methylquinolin-2-yl)-3-pyridinyl]aniline
CID 170149300
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
6-fluoro-2-[5-(4-nonoxyphenyl)-2-pyridinyl]quinoline-4-carboxylic acid
CID 156802368
4-ethyl-6-methyl-2-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]quinoline
CID 170149280
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
4-(4,6-dimethylquinazolin-2-yl)-N,N-dimethylaniline
CID 102212163
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643744
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid (CID 170149298) is 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)cn3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is RRBYPPKBDFXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-4-10-21-19(12-15)20(24(28)29)13-23(26-21)22-11-7-17(14-25-22)16-5-8-18(9-6-16)27(2)3/h4-14H,1-3H3,(H,28,29).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid?
2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 170149298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).