3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide

C23H23N3O2 — CID 39927304

IUPAC3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H23N3O2/c27-22(17-7-2-1-3-8-17)25-19-12-4-10-18(15-19)23(28)26-20-13-5-9-16-11-6-14-24-21(16)20/h4-6,9-15,17H,1-3,7-8H2,(H,25,27)(H,26,28)
InChIKeyRPYAVWJMTMCWBA-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.01
Rot. Bonds4

About 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide

3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide (PubChem CID 39927304) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
PubChem CID39927304
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H23N3O2/c27-22(17-7-2-1-3-8-17)25-19-12-4-10-18(15-19)23(28)26-20-13-5-9-16-11-6-14-24-21(16)20/h4-6,9-15,17H,1-3,7-8H2,(H,25,27)(H,26,28)
InChIKeyRPYAVWJMTMCWBA-UHFFFAOYSA-N
XLogP5.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440451
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide (CID 39927304) is 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide?
The InChIKey is RPYAVWJMTMCWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(17-7-2-1-3-8-17)25-19-12-4-10-18(15-19)23(28)26-20-13-5-9-16-11-6-14-24-21(16)20/h4-6,9-15,17H,1-3,7-8H2,(H,25,27)(H,26,28).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide?
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 39927304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).