2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide

C24H23ClN4O2 — CID 167060231

IUPAC2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(O)cc23)c1C
InChIInChI=1S/C24H23ClN4O2/c1-4-29-15(2)17(13-26-29)14-28(3)24(31)21-12-23(16-6-5-7-18(25)10-16)27-22-9-8-19(30)11-20(21)22/h5-13,30H,4,14H2,1-3H3
InChIKeyMIKBHFXLESLJSY-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.06
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide

2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide (PubChem CID 167060231) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
PubChem CID167060231
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(O)cc23)c1C
InChIInChI=1S/C24H23ClN4O2/c1-4-29-15(2)17(13-26-29)14-28(3)24(31)21-12-23(16-6-5-7-18(25)10-16)27-22-9-8-19(30)11-20(21)22/h5-13,30H,4,14H2,1-3H3
InChIKeyMIKBHFXLESLJSY-UHFFFAOYSA-N
XLogP5.06
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 167060182
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060246
6-hydroxy-2-(3-hydroxyphenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 167060216
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide
CID 167060128
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-2-pyridinyl]-N-methylquinoline-4-carboxamide
CID 167060178
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide
CID 167060323
6-chloro-2-[6-ethyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 167060319
6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767357

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide (CID 167060231) is 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(O)cc23)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
The InChIKey is MIKBHFXLESLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-4-29-15(2)17(13-26-29)14-28(3)24(31)21-12-23(16-6-5-7-18(25)10-16)27-22-9-8-19(30)11-20(21)22/h5-13,30H,4,14H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 167060231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).