7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine

C15H15ClN4 — CID 78955180

IUPAC7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
SMILESCn1cc(CCNc2ccnc3cc(Cl)ccc23)cn1
InChIInChI=1S/C15H15ClN4/c1-20-10-11(9-19-20)4-6-17-14-5-7-18-15-8-12(16)2-3-13(14)15/h2-3,5,7-10H,4,6H2,1H3,(H,17,18)
InChIKeyPLFVCJXFEANUNI-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.28
Rot. Bonds4

About 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine

7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine (PubChem CID 78955180) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
PubChem CID78955180
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
SMILESCn1cc(CCNc2ccnc3cc(Cl)ccc23)cn1
InChIInChI=1S/C15H15ClN4/c1-20-10-11(9-19-20)4-6-17-14-5-7-18-15-8-12(16)2-3-13(14)15/h2-3,5,7-10H,4,6H2,1H3,(H,17,18)
InChIKeyPLFVCJXFEANUNI-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
CID 58223366
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
5-chloro-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 80683202
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
CID 11587318
CID 70870191
CID 70870191
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine (CID 78955180) is 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine is Cn1cc(CCNc2ccnc3cc(Cl)ccc23)cn1.
What is the InChIKey of 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine?
The InChIKey is PLFVCJXFEANUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-20-10-11(9-19-20)4-6-17-14-5-7-18-15-8-12(16)2-3-13(14)15/h2-3,5,7-10H,4,6H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine?
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine has a molecular weight of 286.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 78955180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).