(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone

C14H11N3O — CID 63222880

IUPAC(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone
SMILESCn1cc(C(=O)c2ccc3ccccc3n2)cn1
InChIInChI=1S/C14H11N3O/c1-17-9-11(8-15-17)14(18)13-7-6-10-4-2-3-5-12(10)16-13/h2-9H,1H3
InChIKeyXJGSZSPMYKNWNW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.20
Rot. Bonds2

About (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone

(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone (PubChem CID 63222880) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone
PubChem CID63222880
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone
SMILESCn1cc(C(=O)c2ccc3ccccc3n2)cn1
InChIInChI=1S/C14H11N3O/c1-17-9-11(8-15-17)14(18)13-7-6-10-4-2-3-5-12(10)16-13/h2-9H,1H3
InChIKeyXJGSZSPMYKNWNW-UHFFFAOYSA-N
XLogP2.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone?
The IUPAC name of (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone (CID 63222880) is (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone is Cn1cc(C(=O)c2ccc3ccccc3n2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone?
The InChIKey is XJGSZSPMYKNWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-9-11(8-15-17)14(18)13-7-6-10-4-2-3-5-12(10)16-13/h2-9H,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone?
(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone has a molecular weight of 237.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 63222880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).