3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

C19H17N5O — CID 70681473

IUPAC3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESCCn1cnc2ccc(-c3ccnn3-c3cccc(C)n3)cc2c1=O
InChIInChI=1S/C19H17N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h4-12H,3H2,1-2H3
InChIKeySVYUNLDRUFJWNV-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (PubChem CID 70681473) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
PubChem CID70681473
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESCCn1cnc2ccc(-c3ccnn3-c3cccc(C)n3)cc2c1=O
InChIInChI=1S/C19H17N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h4-12H,3H2,1-2H3
InChIKeySVYUNLDRUFJWNV-UHFFFAOYSA-N
XLogP2.97
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The IUPAC name of 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (CID 70681473) is 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is CCn1cnc2ccc(-c3ccnn3-c3cccc(C)n3)cc2c1=O.
What is the InChIKey of 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The InChIKey is SVYUNLDRUFJWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h4-12H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is sourced from PubChem (CID 70681473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).