4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine

C20H22ClN5 — CID 177172690

IUPAC4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
SMILESCN(C)c1ccc2c(Cl)cc(-c3ccc(N4CCNCC4)nc3)nc2c1
InChIInChI=1S/C20H22ClN5/c1-25(2)15-4-5-16-17(21)12-18(24-19(16)11-15)14-3-6-20(23-13-14)26-9-7-22-8-10-26/h3-6,11-13,22H,7-10H2,1-2H3
InChIKeyNGFVTTZMSNJPRU-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine

4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine (PubChem CID 177172690) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
PubChem CID177172690
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
SMILESCN(C)c1ccc2c(Cl)cc(-c3ccc(N4CCNCC4)nc3)nc2c1
InChIInChI=1S/C20H22ClN5/c1-25(2)15-4-5-16-17(21)12-18(24-19(16)11-15)14-3-6-20(23-13-14)26-9-7-22-8-10-26/h3-6,11-13,22H,7-10H2,1-2H3
InChIKeyNGFVTTZMSNJPRU-UHFFFAOYSA-N
XLogP3.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine with MolForge

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
CID 177174244
6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177172662
1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
CID 86694860
4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
CID 177174040
2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
CID 177172502
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
4-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177173294
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
CID 141335696
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride
CID 23321153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine (CID 177172690) is 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine is CN(C)c1ccc2c(Cl)cc(-c3ccc(N4CCNCC4)nc3)nc2c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
The InChIKey is NGFVTTZMSNJPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-25(2)15-4-5-16-17(21)12-18(24-19(16)11-15)14-3-6-20(23-13-14)26-9-7-22-8-10-26/h3-6,11-13,22H,7-10H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine has a molecular weight of 367.88 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine is sourced from PubChem (CID 177172690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).