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

C24H26N6O2 — CID 167060246

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cc(C)nc(C)n3)nc3ccc(O)cc23)c1C
InChIInChI=1S/C24H26N6O2/c1-6-30-15(3)17(12-25-30)13-29(5)24(32)20-11-23(22-9-14(2)26-16(4)27-22)28-21-8-7-18(31)10-19(20)21/h7-12,31H,6,13H2,1-5H3
InChIKeyHKBIHBXCYUAEMT-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.81
Rot. Bonds5

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

2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide (PubChem CID 167060246) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
PubChem CID167060246
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cc(C)nc(C)n3)nc3ccc(O)cc23)c1C
InChIInChI=1S/C24H26N6O2/c1-6-30-15(3)17(12-25-30)13-29(5)24(32)20-11-23(22-9-14(2)26-16(4)27-22)28-21-8-7-18(31)10-19(20)21/h7-12,31H,6,13H2,1-5H3
InChIKeyHKBIHBXCYUAEMT-UHFFFAOYSA-N
XLogP3.81
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060231
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
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
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
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
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
6-hydroxy-2-(3-hydroxyphenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 167060216
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
CID 167060468
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
CID 164767408

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide (CID 167060246) is 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3cc(C)nc(C)n3)nc3ccc(O)cc23)c1C.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
The InChIKey is HKBIHBXCYUAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-6-30-15(3)17(12-25-30)13-29(5)24(32)20-11-23(22-9-14(2)26-16(4)27-22)28-21-8-7-18(31)10-19(20)21/h7-12,31H,6,13H2,1-5H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide?
2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 167060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).