2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C23H19ClN4 — CID 58547359

IUPAC2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1Cl
InChIInChI=1S/C23H19ClN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyKSNXQLOLYJCHAR-UHFFFAOYSA-N
MW386.89 g/mol
LogP5.26
Rot. Bonds3

About 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547359) has the molecular formula C23H19ClN4 and a molecular weight of 386.89 g/mol. Its IUPAC name is 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547359
Molecular FormulaC23H19ClN4
Molecular Weight386.89 g/mol
Exact Mass386.13
IUPAC Name2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1Cl
InChIInChI=1S/C23H19ClN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyKSNXQLOLYJCHAR-UHFFFAOYSA-N
XLogP5.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.89
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
3-(2,6-dichlorophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330142
N2-(3-chlorophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826932
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 70684940
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine
CID 70684941
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]propane-1,3-diamine
CID 70684942
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 70689190
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]butane-1,4-diamine
CID 70693382
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]butane-1,4-diamine
CID 70697504
N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine
CID 71575835
N'-[6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 71736117
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 117827337

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547359) is 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1Cl.
What is the InChIKey of 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is KSNXQLOLYJCHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 386.89 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).