N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide

C25H24Cl2N2O — CID 122539356

IUPACN-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2cc(Cl)c(Cl)cc2c1C(=O)NC1CC2CCC1CC2
InChIInChI=1S/C25H24Cl2N2O/c1-14-23(25(30)29-21-11-15-7-9-16(21)10-8-15)18-12-19(26)20(27)13-22(18)28-24(14)17-5-3-2-4-6-17/h2-6,12-13,15-16,21H,7-11H2,1H3,(H,29,30)
InChIKeyDKTPKBSXUYFEGU-UHFFFAOYSA-N
MW439.39 g/mol
LogP6.83
Rot. Bonds3

About N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide

N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 122539356) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID122539356
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC NameN-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2cc(Cl)c(Cl)cc2c1C(=O)NC1CC2CCC1CC2
InChIInChI=1S/C25H24Cl2N2O/c1-14-23(25(30)29-21-11-15-7-9-16(21)10-8-15)18-12-19(26)20(27)13-22(18)28-24(14)17-5-3-2-4-6-17/h2-6,12-13,15-16,21H,7-11H2,1H3,(H,29,30)
InChIKeyDKTPKBSXUYFEGU-UHFFFAOYSA-N
XLogP6.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide with MolForge

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Related Compounds

N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
6-bromo-3-methyl-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]cyclohexyl]quinoline-4-carboxamide
CID 176682847
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
N-(2-bicyclo[2.2.2]octanyl)-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 166228286
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
6-cyclobutyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 122539386
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
methyl 6,7-dichloro-2-cyclopropyl-4-phenylquinoline-3-carboxylate
CID 86682936
N-[(1S)-1-cyclohexylethyl]-7-methyl-6-phenyl-[1,3]dioxolo[4,5-g]quinoline-8-carboxamide
CID 86592322
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide (CID 122539356) is N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2cc(Cl)c(Cl)cc2c1C(=O)NC1CC2CCC1CC2.
What is the InChIKey of N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is DKTPKBSXUYFEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-14-23(25(30)29-21-11-15-7-9-16(21)10-8-15)18-12-19(26)20(27)13-22(18)28-24(14)17-5-3-2-4-6-17/h2-6,12-13,15-16,21H,7-11H2,1H3,(H,29,30).
What are the key properties of N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide?
N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 439.39 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]octanyl)-6,7-dichloro-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 122539356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).