[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

C24H33N3O — CID 92760503

IUPAC[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)C1
InChIInChI=1S/C24H33N3O/c1-17-13-18(2)16-27(15-17)24(28)21-14-23(25-22-12-8-7-11-20(21)22)26(3)19-9-5-4-6-10-19/h7-8,11-12,14,17-19H,4-6,9-10,13,15-16H2,1-3H3/t17-,18+
InChIKeyDRXYTAUFOVOMIM-HDICACEKSA-N
MW379.55 g/mol
LogP5.12
Rot. Bonds3

About [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 92760503) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID92760503
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)C1
InChIInChI=1S/C24H33N3O/c1-17-13-18(2)16-27(15-17)24(28)21-14-23(25-22-12-8-7-11-20(21)22)26(3)19-9-5-4-6-10-19/h7-8,11-12,14,17-19H,4-6,9-10,13,15-16H2,1-3H3/t17-,18+
InChIKeyDRXYTAUFOVOMIM-HDICACEKSA-N
XLogP5.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
2-[cyclohexyl(methyl)amino]quinoline-4-carbothioamide
CID 63885147
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
(3S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112103
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 5074067
N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide
CID 46091008
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 92760503) is [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)C1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is DRXYTAUFOVOMIM-HDICACEKSA-N. The full InChI is InChI=1S/C24H33N3O/c1-17-13-18(2)16-27(15-17)24(28)21-14-23(25-22-12-8-7-11-20(21)22)26(3)19-9-5-4-6-10-19/h7-8,11-12,14,17-19H,4-6,9-10,13,15-16H2,1-3H3/t17-,18+.
What are the key properties of [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 379.55 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 92760503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).