7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

C21H29N3O2 — CID 129247376

IUPAC7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2c1
InChIInChI=1S/C21H29N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(24(3)4)12-19(14)22-13-15/h5,10-13,16-17,26H,6-9H2,1-4H3,(H,23,25)
InChIKeyCGJWUEMNYODPFN-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.36
Rot. Bonds4

About 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide (PubChem CID 129247376) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
PubChem CID129247376
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2c1
InChIInChI=1S/C21H29N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(24(3)4)12-19(14)22-13-15/h5,10-13,16-17,26H,6-9H2,1-4H3,(H,23,25)
InChIKeyCGJWUEMNYODPFN-UHFFFAOYSA-N
XLogP3.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 137241065
6-chloro-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(propan-2-ylamino)quinoline-3-carboxamide;molecular hydrogen
CID 159593542
7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 137363100
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688290
2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688252
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
CID 129276278
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 176791093

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
The IUPAC name of 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide (CID 129247376) is 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
The canonical SMILES for 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide is CN(C)c1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2c1.
What is the InChIKey of 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
The InChIKey is CGJWUEMNYODPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(24(3)4)12-19(14)22-13-15/h5,10-13,16-17,26H,6-9H2,1-4H3,(H,23,25).
What are the key properties of 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide is sourced from PubChem (CID 129247376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).