7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine

C27H26ClN3 — CID 24774969

IUPAC7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
SMILESCc1ccc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2CN2CCCC2)cc1
InChIInChI=1S/C27H26ClN3/c1-19-4-6-20(7-5-19)24-11-9-23(16-21(24)18-31-14-2-3-15-31)30-26-12-13-29-27-17-22(28)8-10-25(26)27/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,29,30)
InChIKeyCMCDBCSLBVPOFW-UHFFFAOYSA-N
MW427.98 g/mol
LogP7.20
Rot. Bonds5

About 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine

7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine (PubChem CID 24774969) has the molecular formula C27H26ClN3 and a molecular weight of 427.98 g/mol. Its IUPAC name is 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
PubChem CID24774969
Molecular FormulaC27H26ClN3
Molecular Weight427.98 g/mol
Exact Mass427.18
IUPAC Name7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
SMILESCc1ccc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2CN2CCCC2)cc1
InChIInChI=1S/C27H26ClN3/c1-19-4-6-20(7-5-19)24-11-9-23(16-21(24)18-31-14-2-3-15-31)30-26-12-13-29-27-17-22(28)8-10-25(26)27/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,29,30)
InChIKeyCMCDBCSLBVPOFW-UHFFFAOYSA-N
XLogP7.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]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-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;ethane;propane
CID 162520037
7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 53250975
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572182
4-[(7-iodoquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol
CID 135359000
4-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-N,N-diethylpiperazine-1-carboxamide;dihydrochloride
CID 3061378
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
N-[3-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-4-fluorophenyl]-7-chloroquinolin-4-amine
CID 132525418
[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
CID 67247174
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
5-[(7-chloroquinolin-4-yl)amino]-2-methylphenol;8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 143270906

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine (CID 24774969) is 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine is Cc1ccc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2CN2CCCC2)cc1.
What is the InChIKey of 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
The InChIKey is CMCDBCSLBVPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3/c1-19-4-6-20(7-5-19)24-11-9-23(16-21(24)18-31-14-2-3-15-31)30-26-12-13-29-27-17-22(28)8-10-25(26)27/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,29,30).
What are the key properties of 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine has a molecular weight of 427.98 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 24774969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).