N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide

C23H32ClN3O2 — CID 11750436

IUPACN-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(CCCNCCCO)ccc12
InChIInChI=1S/C23H32ClN3O2/c24-20-11-12-21-19(10-9-18(26-21)8-4-13-25-14-5-15-28)23(20)27-22(29)16-17-6-2-1-3-7-17/h9-12,17,25,28H,1-8,13-16H2,(H,27,29)
InChIKeyROCWOKQZSYZAGT-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.70
Rot. Bonds10

About N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide

N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide (PubChem CID 11750436) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide
PubChem CID11750436
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC NameN-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(CCCNCCCO)ccc12
InChIInChI=1S/C23H32ClN3O2/c24-20-11-12-21-19(10-9-18(26-21)8-4-13-25-14-5-15-28)23(20)27-22(29)16-17-6-2-1-3-7-17/h9-12,17,25,28H,1-8,13-16H2,(H,27,29)
InChIKeyROCWOKQZSYZAGT-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminopropyl)-6-chloroquinolin-5-yl]-2-cyclohexylacetamide;2,2,2-trifluoroacetic acid
CID 142972259
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 11222925
N-[6-chloro-2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinolin-5-yl]-2-cyclohexylacetamide
CID 11167049
N-[2-[(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]piperidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 68808571
6-chloro-N-(cyclohexylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-3-carboxamide
CID 91041032
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
CID 54788342
2-(1-adamantyl)-N-[6-chloro-2-[[2-(methylamino)ethylamino]methyl]quinolin-5-yl]acetamide
CID 10238326
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide
CID 142442719
N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
CID 20965272

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide (CID 11750436) is N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(CCCNCCCO)ccc12.
What is the InChIKey of N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide?
The InChIKey is ROCWOKQZSYZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c24-20-11-12-21-19(10-9-18(26-21)8-4-13-25-14-5-15-28)23(20)27-22(29)16-17-6-2-1-3-7-17/h9-12,17,25,28H,1-8,13-16H2,(H,27,29).
What are the key properties of N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide?
N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide has a molecular weight of 417.98 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 11750436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).