6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide

C23H32ClN3O2 — CID 91041032

IUPAC6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2cc(Cl)ccc2nc1CCCNCCCO
InChIInChI=1S/C23H32ClN3O2/c24-19-9-10-21-18(14-19)15-20(22(27-21)8-4-11-25-12-5-13-28)23(29)26-16-17-6-2-1-3-7-17/h9-10,14-15,17,25,28H,1-8,11-13,16H2,(H,26,29)
InChIKeyVDDQFIYQJGXEJP-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.10
Rot. Bonds10

About 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide

6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide (PubChem CID 91041032) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide
PubChem CID91041032
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2cc(Cl)ccc2nc1CCCNCCCO
InChIInChI=1S/C23H32ClN3O2/c24-19-9-10-21-18(14-19)15-20(22(27-21)8-4-11-25-12-5-13-28)23(29)26-16-17-6-2-1-3-7-17/h9-10,14-15,17,25,28H,1-8,11-13,16H2,(H,26,29)
InChIKeyVDDQFIYQJGXEJP-UHFFFAOYSA-N
XLogP4.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide
CID 142442719
N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide
CID 11750436
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid
CID 155069060

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide (CID 91041032) is 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide is O=C(NCC1CCCCC1)c1cc2cc(Cl)ccc2nc1CCCNCCCO.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide?
The InChIKey is VDDQFIYQJGXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c24-19-9-10-21-18(14-19)15-20(22(27-21)8-4-11-25-12-5-13-28)23(29)26-16-17-6-2-1-3-7-17/h9-10,14-15,17,25,28H,1-8,11-13,16H2,(H,26,29).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide?
6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide has a molecular weight of 417.98 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 91041032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).