1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide

C20H17ClN2O — CID 134022555

IUPAC1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C20H17ClN2O/c21-16-8-2-7-15(13-16)20(10-4-11-20)19(24)23-17-9-1-5-14-6-3-12-22-18(14)17/h1-3,5-9,12-13H,4,10-11H2,(H,23,24)
InChIKeyZOGJIZVRLQKKQQ-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.95
Rot. Bonds3

About 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide (PubChem CID 134022555) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
PubChem CID134022555
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C20H17ClN2O/c21-16-8-2-7-15(13-16)20(10-4-11-20)19(24)23-17-9-1-5-14-6-3-12-22-18(14)17/h1-3,5-9,12-13H,4,10-11H2,(H,23,24)
InChIKeyZOGJIZVRLQKKQQ-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(2-methoxyphenyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 110438937
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214552
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide (CID 134022555) is 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide is O=C(Nc1cccc2cccnc12)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide?
The InChIKey is ZOGJIZVRLQKKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-16-8-2-7-15(13-16)20(10-4-11-20)19(24)23-17-9-1-5-14-6-3-12-22-18(14)17/h1-3,5-9,12-13H,4,10-11H2,(H,23,24).
What are the key properties of 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 134022555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).