N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide

C22H22N2O2 — CID 78767510

IUPACN-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H22N2O2/c25-17-12-10-16(11-13-17)23-22(26)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-9,14,16-17,25H,10-13H2,(H,23,26)
InChIKeyOGXDJTNZMLMBBI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.94
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide

N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide (PubChem CID 78767510) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
PubChem CID78767510
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H22N2O2/c25-17-12-10-16(11-13-17)23-22(26)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-9,14,16-17,25H,10-13H2,(H,23,26)
InChIKeyOGXDJTNZMLMBBI-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-(4-hydroxycyclohexyl)-2-phenylbenzamide
CID 39903813
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-phenylquinoline-4-carboxamide
CID 52703335

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide (CID 78767510) is N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide is O=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is OGXDJTNZMLMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-17-12-10-16(11-13-17)23-22(26)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-9,14,16-17,25H,10-13H2,(H,23,26).
What are the key properties of N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide?
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 78767510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).