N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide

C22H22N2O — CID 58842701

IUPACN-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1nccc2ccccc12)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C22H22N2O/c25-21(24-20-19-12-6-5-9-17(19)13-16-23-20)22(14-7-2-8-15-22)18-10-3-1-4-11-18/h1,3-6,9-13,16H,2,7-8,14-15H2,(H,23,24,25)
InChIKeySQFYQHZHPXGFCE-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.08
Rot. Bonds3

About N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide

N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide (PubChem CID 58842701) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide
PubChem CID58842701
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1nccc2ccccc12)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C22H22N2O/c25-21(24-20-19-12-6-5-9-17(19)13-16-23-20)22(14-7-2-8-15-22)18-10-3-1-4-11-18/h1,3-6,9-13,16H,2,7-8,14-15H2,(H,23,24,25)
InChIKeySQFYQHZHPXGFCE-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide (CID 58842701) is N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide is O=C(Nc1nccc2ccccc12)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide?
The InChIKey is SQFYQHZHPXGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-21(24-20-19-12-6-5-9-17(19)13-16-23-20)22(14-7-2-8-15-22)18-10-3-1-4-11-18/h1,3-6,9-13,16H,2,7-8,14-15H2,(H,23,24,25).
What are the key properties of N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide?
N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 58842701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).