8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide

C23H24ClN3O2 — CID 130229233

IUPAC8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide
SMILESNc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)cc2)c2cccnc12
InChIInChI=1S/C23H24ClN3O2/c24-16-9-7-14(8-10-16)12-15-13-18(21(25)22-17(15)4-3-11-26-22)23(29)27-19-5-1-2-6-20(19)28/h3-4,7-11,13,19-20,28H,1-2,5-6,12,25H2,(H,27,29)/t19-,20-/m0/s1
InChIKeyWQXPQOPSHAQVHX-PMACEKPBSA-N
MW409.92 g/mol
LogP4.09
Rot. Bonds4

About 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide

8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide (PubChem CID 130229233) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide
PubChem CID130229233
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide
SMILESNc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)cc2)c2cccnc12
InChIInChI=1S/C23H24ClN3O2/c24-16-9-7-14(8-10-16)12-15-13-18(21(25)22-17(15)4-3-11-26-22)23(29)27-19-5-1-2-6-20(19)28/h3-4,7-11,13,19-20,28H,1-2,5-6,12,25H2,(H,27,29)/t19-,20-/m0/s1
InChIKeyWQXPQOPSHAQVHX-PMACEKPBSA-N
XLogP4.09
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441262
4-amino-7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzimidazole-5-carboxamide
CID 130407532
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 161242138
1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 122668773
1-[(4-bromophenyl)methyl]-N-(2-hydroxycyclohexyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 123709235
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide
CID 162772174
N-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772225
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-[(1R,2R)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155133238

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide?
The IUPAC name of 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide (CID 130229233) is 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide.
What is the SMILES notation for 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide?
The canonical SMILES for 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide is Nc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)cc2)c2cccnc12.
What is the InChIKey of 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide?
The InChIKey is WQXPQOPSHAQVHX-PMACEKPBSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-16-9-7-14(8-10-16)12-15-13-18(21(25)22-17(15)4-3-11-26-22)23(29)27-19-5-1-2-6-20(19)28/h3-4,7-11,13,19-20,28H,1-2,5-6,12,25H2,(H,27,29)/t19-,20-/m0/s1.
What are the key properties of 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide?
8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[(4-chlorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-7-carboxamide is sourced from PubChem (CID 130229233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).