N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide

C22H33ClN4O — CID 24828413

IUPACN-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C22H33ClN4O/c1-3-27(4-2)16-12-22(28)26-14-8-6-5-7-13-24-20-11-15-25-21-17-18(23)9-10-19(20)21/h9-11,15,17H,3-8,12-14,16H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyKCNBDQMSNPKHJJ-UHFFFAOYSA-N
MW404.99 g/mol
LogP4.71
Rot. Bonds13

About N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide

N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide (PubChem CID 24828413) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide
PubChem CID24828413
Molecular FormulaC22H33ClN4O
Molecular Weight404.99 g/mol
Exact Mass404.23
IUPAC NameN-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C22H33ClN4O/c1-3-27(4-2)16-12-22(28)26-14-8-6-5-7-13-24-20-11-15-25-21-17-18(23)9-10-19(20)21/h9-11,15,17H,3-8,12-14,16H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyKCNBDQMSNPKHJJ-UHFFFAOYSA-N
XLogP4.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide 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 N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide?
The IUPAC name of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide (CID 24828413) is N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide?
The InChIKey is KCNBDQMSNPKHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O/c1-3-27(4-2)16-12-22(28)26-14-8-6-5-7-13-24-20-11-15-25-21-17-18(23)9-10-19(20)21/h9-11,15,17H,3-8,12-14,16H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide?
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide has a molecular weight of 404.99 g/mol, XLogP of 4.71, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-3-(diethylamino)propanamide is sourced from PubChem (CID 24828413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).