[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

C23H28N4O — CID 95046617

IUPAC[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1
InChIInChI=1S/C23H28N4O/c1-15(2)27-14-18(13-24-27)21-12-20(19-9-8-16(3)11-22(19)25-21)23(28)26-10-6-5-7-17(26)4/h8-9,11-15,17H,5-7,10H2,1-4H3/t17-/m0/s1
InChIKeyQHKAKRJOBCPMNK-KRWDZBQOSA-N
MW376.50 g/mol
LogP5.00
Rot. Bonds3

About [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 95046617) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID95046617
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1
InChIInChI=1S/C23H28N4O/c1-15(2)27-14-18(13-24-27)21-12-20(19-9-8-16(3)11-22(19)25-21)23(28)26-10-6-5-7-17(26)4/h8-9,11-15,17H,5-7,10H2,1-4H3/t17-/m0/s1
InChIKeyQHKAKRJOBCPMNK-KRWDZBQOSA-N
XLogP5.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
(2,4-dimethyl-1,4-diazepan-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991420
(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991473
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46993429
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45209543
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone (CID 95046617) is [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone is Cc1ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is QHKAKRJOBCPMNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15(2)27-14-18(13-24-27)21-12-20(19-9-8-16(3)11-22(19)25-21)23(28)26-10-6-5-7-17(26)4/h8-9,11-15,17H,5-7,10H2,1-4H3/t17-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 95046617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).