6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine

C22H25ClN4O — CID 162658099

IUPAC6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine
SMILESClc1ccc2nc(-c3ccncc3)cc(NCCCCN3CCOCC3)c2c1
InChIInChI=1S/C22H25ClN4O/c23-18-3-4-20-19(15-18)22(16-21(26-20)17-5-8-24-9-6-17)25-7-1-2-10-27-11-13-28-14-12-27/h3-6,8-9,15-16H,1-2,7,10-14H2,(H,25,26)
InChIKeyJTYVKISJHMSLFI-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.47
Rot. Bonds7

About 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine

6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine (PubChem CID 162658099) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine
PubChem CID162658099
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine
SMILESClc1ccc2nc(-c3ccncc3)cc(NCCCCN3CCOCC3)c2c1
InChIInChI=1S/C22H25ClN4O/c23-18-3-4-20-19(15-18)22(16-21(26-20)17-5-8-24-9-6-17)25-7-1-2-10-27-11-13-28-14-12-27/h3-6,8-9,15-16H,1-2,7,10-14H2,(H,25,26)
InChIKeyJTYVKISJHMSLFI-UHFFFAOYSA-N
XLogP4.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine (CID 162658099) is 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine is Clc1ccc2nc(-c3ccncc3)cc(NCCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine?
The InChIKey is JTYVKISJHMSLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-18-3-4-20-19(15-18)22(16-21(26-20)17-5-8-24-9-6-17)25-7-1-2-10-27-11-13-28-14-12-27/h3-6,8-9,15-16H,1-2,7,10-14H2,(H,25,26).
What are the key properties of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine?
6-chloro-N-(4-morpholin-4-ylbutyl)-2-pyridin-4-ylquinolin-4-amine has a molecular weight of 396.92 g/mol, XLogP of 4.47, 7 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-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 162658099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).