3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

C19H17N5O — CID 70692041

IUPAC3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESCc1cccc(-n2nc(C)cc2-c2ccc3ncn(C)c(=O)c3c2)n1
InChIInChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3
InChIKeyMXPCSPZWJDZMDL-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.80
Rot. Bonds2

About 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (PubChem CID 70692041) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
PubChem CID70692041
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESCc1cccc(-n2nc(C)cc2-c2ccc3ncn(C)c(=O)c3c2)n1
InChIInChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3
InChIKeyMXPCSPZWJDZMDL-UHFFFAOYSA-N
XLogP2.80
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (CID 70692041) is 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is Cc1cccc(-n2nc(C)cc2-c2ccc3ncn(C)c(=O)c3c2)n1.
What is the InChIKey of 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The InChIKey is MXPCSPZWJDZMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3.
What are the key properties of 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is sourced from PubChem (CID 70692041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).