N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide

C23H23Cl2N3O — CID 90644994

IUPACN-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C23H23Cl2N3O/c24-17-11-9-15(13-18(17)25)14-26-20-7-3-4-8-21(20)28-23(29)22-12-10-16-5-1-2-6-19(16)27-22/h1-2,5-6,9-13,20-21,26H,3-4,7-8,14H2,(H,28,29)/t20-,21+/m0/s1
InChIKeyUQVWDVRFHVVWFZ-LEWJYISDSA-N
MW428.36 g/mol
LogP5.37
Rot. Bonds5

About N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide

N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide (PubChem CID 90644994) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide
PubChem CID90644994
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC NameN-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C23H23Cl2N3O/c24-17-11-9-15(13-18(17)25)14-26-20-7-3-4-8-21(20)28-23(29)22-12-10-16-5-1-2-6-19(16)27-22/h1-2,5-6,9-13,20-21,26H,3-4,7-8,14H2,(H,28,29)/t20-,21+/m0/s1
InChIKeyUQVWDVRFHVVWFZ-LEWJYISDSA-N
XLogP5.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide with MolForge

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Related Compounds

N-(2-aminocyclopentyl)quinoline-2-carboxamide
CID 63251270
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
CID 35070266
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
N-(3-oxocyclobutyl)quinoline-2-carboxamide
CID 141469344
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide (CID 90644994) is N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide?
The InChIKey is UQVWDVRFHVVWFZ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c24-17-11-9-15(13-18(17)25)14-26-20-7-3-4-8-21(20)28-23(29)22-12-10-16-5-1-2-6-19(16)27-22/h1-2,5-6,9-13,20-21,26H,3-4,7-8,14H2,(H,28,29)/t20-,21+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide?
N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide is sourced from PubChem (CID 90644994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).