6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine

C18H24ClN3O — CID 134696041

IUPAC6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
SMILESClc1ccc2nccc(NCCCCCN3CCOCC3)c2c1
InChIInChI=1S/C18H24ClN3O/c19-15-4-5-17-16(14-15)18(6-8-21-17)20-7-2-1-3-9-22-10-12-23-13-11-22/h4-6,8,14H,1-3,7,9-13H2,(H,20,21)
InChIKeyIWKFNPYACMNZEQ-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.80
Rot. Bonds7

About 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine

6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine (PubChem CID 134696041) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
PubChem CID134696041
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
SMILESClc1ccc2nccc(NCCCCCN3CCOCC3)c2c1
InChIInChI=1S/C18H24ClN3O/c19-15-4-5-17-16(14-15)18(6-8-21-17)20-7-2-1-3-9-22-10-12-23-13-11-22/h4-6,8,14H,1-3,7,9-13H2,(H,20,21)
InChIKeyIWKFNPYACMNZEQ-UHFFFAOYSA-N
XLogP3.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
CID 162645505
6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
CID 162656726
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine?
The IUPAC name of 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine (CID 134696041) is 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine is Clc1ccc2nccc(NCCCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine?
The InChIKey is IWKFNPYACMNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c19-15-4-5-17-16(14-15)18(6-8-21-17)20-7-2-1-3-9-22-10-12-23-13-11-22/h4-6,8,14H,1-3,7,9-13H2,(H,20,21).
What are the key properties of 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine?
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine has a molecular weight of 333.86 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine is sourced from PubChem (CID 134696041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).