5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine

C14H13ClN4 — CID 116783860

IUPAC5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
SMILESCn1ccc(CNc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H13ClN4/c1-19-8-6-10(18-19)9-17-13-5-4-12(15)11-3-2-7-16-14(11)13/h2-8,17H,9H2,1H3
InChIKeyLVKLMNNSHJYTHA-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.23
Rot. Bonds3

About 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine

5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine (PubChem CID 116783860) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
PubChem CID116783860
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
SMILESCn1ccc(CNc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H13ClN4/c1-19-8-6-10(18-19)9-17-13-5-4-12(15)11-3-2-7-16-14(11)13/h2-8,17H,9H2,1H3
InChIKeyLVKLMNNSHJYTHA-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 82872539
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783996
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine (CID 116783860) is 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine is Cn1ccc(CNc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine?
The InChIKey is LVKLMNNSHJYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-19-8-6-10(18-19)9-17-13-5-4-12(15)11-3-2-7-16-14(11)13/h2-8,17H,9H2,1H3.
What are the key properties of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine?
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine has a molecular weight of 272.74 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).