2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine

C14H13ClN4 — CID 62129488

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine
SMILESCc1nn(-c2ccc3cc(N)ccc3n2)c(C)c1Cl
InChIInChI=1S/C14H13ClN4/c1-8-14(15)9(2)19(18-8)13-6-3-10-7-11(16)4-5-12(10)17-13/h3-7H,16H2,1-2H3
InChIKeyXDYQESZUGDXIMO-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.27
Rot. Bonds1

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine

2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine (PubChem CID 62129488) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine
PubChem CID62129488
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine
SMILESCc1nn(-c2ccc3cc(N)ccc3n2)c(C)c1Cl
InChIInChI=1S/C14H13ClN4/c1-8-14(15)9(2)19(18-8)13-6-3-10-7-11(16)4-5-12(10)17-13/h3-7H,16H2,1-2H3
InChIKeyXDYQESZUGDXIMO-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine (CID 62129488) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine is Cc1nn(-c2ccc3cc(N)ccc3n2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine?
The InChIKey is XDYQESZUGDXIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-8-14(15)9(2)19(18-8)13-6-3-10-7-11(16)4-5-12(10)17-13/h3-7H,16H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine has a molecular weight of 272.74 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)quinolin-6-amine is sourced from PubChem (CID 62129488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).