7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide

C18H21ClN2O — CID 17261236

IUPAC7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C18H21ClN2O/c1-11-10-15(18(22)21-13-6-4-3-5-7-13)14-8-9-16(19)12(2)17(14)20-11/h8-10,13H,3-7H2,1-2H3,(H,21,22)
InChIKeyPCMMDNYQQWPXAV-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.57
Rot. Bonds2

About 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide

7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide (PubChem CID 17261236) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
PubChem CID17261236
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C18H21ClN2O/c1-11-10-15(18(22)21-13-6-4-3-5-7-13)14-8-9-16(19)12(2)17(14)20-11/h8-10,13H,3-7H2,1-2H3,(H,21,22)
InChIKeyPCMMDNYQQWPXAV-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 7248332
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
N-cyclohexyl-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 53370585
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
CID 17067296
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
CID 17372353
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide (CID 17261236) is 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)c2ccc(Cl)c(C)c2n1.
What is the InChIKey of 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide?
The InChIKey is PCMMDNYQQWPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-11-10-15(18(22)21-13-6-4-3-5-7-13)14-8-9-16(19)12(2)17(14)20-11/h8-10,13H,3-7H2,1-2H3,(H,21,22).
What are the key properties of 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide?
7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide has a molecular weight of 316.83 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 17261236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).