7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

C18H20ClN5 — CID 71452837

IUPAC7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3ncc(CN4CCCC4)[nH]3)ccnc2c1
InChIInChI=1S/C18H20ClN5/c19-13-3-4-15-16(5-6-20-17(15)9-13)21-11-18-22-10-14(23-18)12-24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-12H2,(H,20,21)(H,22,23)
InChIKeyLQIIESHCEKKFNI-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.82
Rot. Bonds5

About 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71452837) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71452837
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3ncc(CN4CCCC4)[nH]3)ccnc2c1
InChIInChI=1S/C18H20ClN5/c19-13-3-4-15-16(5-6-20-17(15)9-13)21-11-18-22-10-14(23-18)12-24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-12H2,(H,20,21)(H,22,23)
InChIKeyLQIIESHCEKKFNI-UHFFFAOYSA-N
XLogP3.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]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

Related Compounds

4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
2,4-Disubstituted Pyrimidine 2i
CID 5329422
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Aloisine B
CID 6538793
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538807
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
2-Phenylimidazo[4,5-c]quinoline
CID 10824264
BU-E 47
CID 14660352
4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
CID 16066845

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71452837) is 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3ncc(CN4CCCC4)[nH]3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is LQIIESHCEKKFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-13-3-4-15-16(5-6-20-17(15)9-13)21-11-18-22-10-14(23-18)12-24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-12H2,(H,20,21)(H,22,23).
What are the key properties of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 341.85 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71452837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).