[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine

C20H21ClN4 — CID 166485251

IUPAC[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccc2nc(N3CCNCC3)c(Cl)cc2c1
InChIInChI=1S/C20H21ClN4/c21-18-12-16-11-14(17-4-2-1-3-15(17)13-22)5-6-19(16)24-20(18)25-9-7-23-8-10-25/h1-6,11-12,23H,7-10,13,22H2
InChIKeyUZMVABMBQVHMNO-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.42
Rot. Bonds3

About [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine

[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine (PubChem CID 166485251) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
PubChem CID166485251
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccc2nc(N3CCNCC3)c(Cl)cc2c1
InChIInChI=1S/C20H21ClN4/c21-18-12-16-11-14(17-4-2-1-3-15(17)13-22)5-6-19(16)24-20(18)25-9-7-23-8-10-25/h1-6,11-12,23H,7-10,13,22H2
InChIKeyUZMVABMBQVHMNO-UHFFFAOYSA-N
XLogP3.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methoxyphenyl]methanamine;dihydrochloride
CID 166485387
[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 166485547
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-5-methoxyphenyl]methanamine
CID 166485454
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
[1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 171851681
2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine
CID 166485324
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
CID 166485583
[2-(3-chloro-4-methylphenyl)phenyl]methanamine
CID 115504087

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine?
The IUPAC name of [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine (CID 166485251) is [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine is NCc1ccccc1-c1ccc2nc(N3CCNCC3)c(Cl)cc2c1.
What is the InChIKey of [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine?
The InChIKey is UZMVABMBQVHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-18-12-16-11-14(17-4-2-1-3-15(17)13-22)5-6-19(16)24-20(18)25-9-7-23-8-10-25/h1-6,11-12,23H,7-10,13,22H2.
What are the key properties of [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine?
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine has a molecular weight of 352.87 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine is sourced from PubChem (CID 166485251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).