N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide

C21H28N2O4 — CID 129247320

IUPACN-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(OCC(C)(C)O)CC3)cnc2c1
InChIInChI=1S/C21H28N2O4/c1-21(2,25)13-27-17-8-5-16(6-9-17)23-20(24)15-10-14-4-7-18(26-3)11-19(14)22-12-15/h4,7,10-12,16-17,25H,5-6,8-9,13H2,1-3H3,(H,23,24)
InChIKeyHDBXBTLLEWPGJW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.07
Rot. Bonds6

About N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide

N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide (PubChem CID 129247320) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
PubChem CID129247320
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(OCC(C)(C)O)CC3)cnc2c1
InChIInChI=1S/C21H28N2O4/c1-21(2,25)13-27-17-8-5-16(6-9-17)23-20(24)15-10-14-4-7-18(26-3)11-19(14)22-12-15/h4,7,10-12,16-17,25H,5-6,8-9,13H2,1-3H3,(H,23,24)
InChIKeyHDBXBTLLEWPGJW-UHFFFAOYSA-N
XLogP3.07
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-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

7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
CID 129276277
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
CID 129276278
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide (CID 129247320) is N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCC(OCC(C)(C)O)CC3)cnc2c1.
What is the InChIKey of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
The InChIKey is HDBXBTLLEWPGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-21(2,25)13-27-17-8-5-16(6-9-17)23-20(24)15-10-14-4-7-18(26-3)11-19(14)22-12-15/h4,7,10-12,16-17,25H,5-6,8-9,13H2,1-3H3,(H,23,24).
What are the key properties of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 129247320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).