7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine

C24H23ClN4S — CID 71454618

IUPAC7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3nc(-c4ccccc4)c(CN4CCCC4)s3)ccnc2c1
InChIInChI=1S/C24H23ClN4S/c25-18-8-9-19-20(10-11-26-21(19)14-18)27-15-23-28-24(17-6-2-1-3-7-17)22(30-23)16-29-12-4-5-13-29/h1-3,6-11,14H,4-5,12-13,15-16H2,(H,26,27)
InChIKeyVEGMUPYOVNFZCP-UHFFFAOYSA-N
MW435.00 g/mol
LogP6.22
Rot. Bonds6

About 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71454618) has the molecular formula C24H23ClN4S and a molecular weight of 435.00 g/mol. Its IUPAC name is 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine
PubChem CID71454618
Molecular FormulaC24H23ClN4S
Molecular Weight435.00 g/mol
Exact Mass434.13
IUPAC Name7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3nc(-c4ccccc4)c(CN4CCCC4)s3)ccnc2c1
InChIInChI=1S/C24H23ClN4S/c25-18-8-9-19-20(10-11-26-21(19)14-18)27-15-23-28-24(17-6-2-1-3-7-17)22(30-23)16-29-12-4-5-13-29/h1-3,6-11,14H,4-5,12-13,15-16H2,(H,26,27)
InChIKeyVEGMUPYOVNFZCP-UHFFFAOYSA-N
XLogP6.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.00
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl]quinolin-4-amine
CID 71454606
7-chloro-N-[(4-phenylthiazol-2-yl)methyl]quinolin-4-amine
CID 71458169
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 11749138
N'-(7-chloroquinolin-4-yl)-N-[2-(N-phenylanilino)ethyl]propane-1,3-diamine
CID 11997008
N'-(7-chloroquinolin-4-yl)-N-[2-(dibenzylamino)ethyl]propane-1,3-diamine
CID 11997166
N'-(7-chloroquinolin-4-yl)-N-[2-(dibenzylamino)ethyl]ethane-1,2-diamine
CID 11997167
7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine
CID 24863019
4-(3-Chloro-4-fluorophenylamino)-6-(thiazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 44420096
N-(4-(benzo[d]thiazol-2-yl)phenyl)-7-chloroquinolin-4-amine
CID 44564862
N-(3-chloro-4-fluorophenyl)-6-(5-thiazolyl)-4-quinolinamine
CID 118736888
1-[(4-Chlorophenyl)methyl]-3-[1-ethyl-5-[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]urea
CID 150645369
7-chloro-N-[3-[4-[3-(thiophen-3-ylmethylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 10950564

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine (CID 71454618) is 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3nc(-c4ccccc4)c(CN4CCCC4)s3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is VEGMUPYOVNFZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4S/c25-18-8-9-19-20(10-11-26-21(19)14-18)27-15-23-28-24(17-6-2-1-3-7-17)22(30-23)16-29-12-4-5-13-29/h1-3,6-11,14H,4-5,12-13,15-16H2,(H,26,27).
What are the key properties of 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 435.00 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71454618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).