5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine

C15H15ClN4 — CID 116783996

IUPAC5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
SMILESCCn1cc(CNc2ccc(Cl)c3cccnc23)cn1
InChIInChI=1S/C15H15ClN4/c1-2-20-10-11(9-19-20)8-18-14-6-5-13(16)12-4-3-7-17-15(12)14/h3-7,9-10,18H,2,8H2,1H3
InChIKeyRJLZUQYMGSMSJH-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine

5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine (PubChem CID 116783996) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
PubChem CID116783996
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
SMILESCCn1cc(CNc2ccc(Cl)c3cccnc23)cn1
InChIInChI=1S/C15H15ClN4/c1-2-20-10-11(9-19-20)8-18-14-6-5-13(16)12-4-3-7-17-15(12)14/h3-7,9-10,18H,2,8H2,1H3
InChIKeyRJLZUQYMGSMSJH-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-iodoaniline
CID 113365415
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
CID 66132568
3-chloro-4-[(1-ethylpyrazol-4-yl)methylamino]benzonitrile
CID 107807317
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine (CID 116783996) is 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine is CCn1cc(CNc2ccc(Cl)c3cccnc23)cn1.
What is the InChIKey of 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine?
The InChIKey is RJLZUQYMGSMSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-2-20-10-11(9-19-20)8-18-14-6-5-13(16)12-4-3-7-17-15(12)14/h3-7,9-10,18H,2,8H2,1H3.
What are the key properties of 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine?
5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine has a molecular weight of 286.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).