6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide

C23H21Cl2N3O2 — CID 55905622

IUPAC6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cc(Cl)cc3cccnc23)ccc1Cl
InChIInChI=1S/C23H21Cl2N3O2/c24-15-11-14-5-4-10-26-21(14)19(12-15)23(30)28-17-8-9-20(25)18(13-17)22(29)27-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,27,29)(H,28,30)
InChIKeySFCAIFFANCCMCU-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.86
Rot. Bonds4

About 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide

6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide (PubChem CID 55905622) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide
PubChem CID55905622
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cc(Cl)cc3cccnc23)ccc1Cl
InChIInChI=1S/C23H21Cl2N3O2/c24-15-11-14-5-4-10-26-21(14)19(12-15)23(30)28-17-8-9-20(25)18(13-17)22(29)27-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,27,29)(H,28,30)
InChIKeySFCAIFFANCCMCU-UHFFFAOYSA-N
XLogP5.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-piperidin-4-ylquinoline-8-carboxamide
CID 119386656
N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
CID 119475262
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 87032124
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55906780
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)quinoline-8-carboxamide
CID 86772174
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
CID 120576271
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide (CID 55905622) is 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide is O=C(NC1CCCCC1)c1cc(NC(=O)c2cc(Cl)cc3cccnc23)ccc1Cl.
What is the InChIKey of 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide?
The InChIKey is SFCAIFFANCCMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c24-15-11-14-5-4-10-26-21(14)19(12-15)23(30)28-17-8-9-20(25)18(13-17)22(29)27-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,27,29)(H,28,30).
What are the key properties of 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide?
6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide has a molecular weight of 442.35 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 55905622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).