7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine

C13H11FN4 — CID 83165173

IUPAC7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
SMILESCc1ccn(-c2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C13H11FN4/c1-8-4-6-18(17-8)13-10(14)7-11(15)9-3-2-5-16-12(9)13/h2-7H,15H2,1H3
InChIKeyNROBQVPQYNHFAV-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.45
Rot. Bonds1

About 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine

7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine (PubChem CID 83165173) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
PubChem CID83165173
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
SMILESCc1ccn(-c2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C13H11FN4/c1-8-4-6-18(17-8)13-10(14)7-11(15)9-3-2-5-16-12(9)13/h2-7H,15H2,1H3
InChIKeyNROBQVPQYNHFAV-UHFFFAOYSA-N
XLogP2.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.45
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 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine?
The IUPAC name of 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine (CID 83165173) is 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine is Cc1ccn(-c2c(F)cc(N)c3cccnc23)n1.
What is the InChIKey of 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine?
The InChIKey is NROBQVPQYNHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-4-6-18(17-8)13-10(14)7-11(15)9-3-2-5-16-12(9)13/h2-7H,15H2,1H3.
What are the key properties of 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine?
7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine has a molecular weight of 242.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine is sourced from PubChem (CID 83165173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).