6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

C24H27ClN4O — CID 162646097

IUPAC6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(NCCCCN3CCOCC3)c2c1
InChIInChI=1S/C24H27ClN4O/c25-20-4-6-23-22(17-20)24(27-9-1-2-12-29-13-15-30-16-14-29)18-21(28-23)5-3-19-7-10-26-11-8-19/h3-8,10-11,17-18H,1-2,9,12-16H2,(H,27,28)/b5-3+
InChIKeyKJLIMYPQYQMAMW-HWKANZROSA-N
MW422.96 g/mol
LogP4.98
Rot. Bonds8

About 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (PubChem CID 162646097) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
PubChem CID162646097
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(NCCCCN3CCOCC3)c2c1
InChIInChI=1S/C24H27ClN4O/c25-20-4-6-23-22(17-20)24(27-9-1-2-12-29-13-15-30-16-14-29)18-21(28-23)5-3-19-7-10-26-11-8-19/h3-8,10-11,17-18H,1-2,9,12-16H2,(H,27,28)/b5-3+
InChIKeyKJLIMYPQYQMAMW-HWKANZROSA-N
XLogP4.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (CID 162646097) is 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is Clc1ccc2nc(/C=C/c3ccncc3)cc(NCCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The InChIKey is KJLIMYPQYQMAMW-HWKANZROSA-N. The full InChI is InChI=1S/C24H27ClN4O/c25-20-4-6-23-22(17-20)24(27-9-1-2-12-29-13-15-30-16-14-29)18-21(28-23)5-3-19-7-10-26-11-8-19/h3-8,10-11,17-18H,1-2,9,12-16H2,(H,27,28)/b5-3+.
What are the key properties of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine has a molecular weight of 422.96 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is sourced from PubChem (CID 162646097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).