3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one

C23H18N6O — CID 24879245

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one
SMILESCc1ccn(-c2ccc(-n3cccn3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H18N6O/c1-15-9-12-28(18-4-6-19(7-5-18)29-11-2-10-26-29)22(30)21(15)16-3-8-20-17(13-16)14-25-23(24)27-20/h2-14H,1H3,(H2,24,25,27)
InChIKeyXWAAKVKNHUQQFW-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.52
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one

3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one (PubChem CID 24879245) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one
PubChem CID24879245
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one
SMILESCc1ccn(-c2ccc(-n3cccn3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H18N6O/c1-15-9-12-28(18-4-6-19(7-5-18)29-11-2-10-26-29)22(30)21(15)16-3-8-20-17(13-16)14-25-23(24)27-20/h2-14H,1H3,(H2,24,25,27)
InChIKeyXWAAKVKNHUQQFW-UHFFFAOYSA-N
XLogP3.52
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one (CID 24879245) is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one is Cc1ccn(-c2ccc(-n3cccn3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one?
The InChIKey is XWAAKVKNHUQQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-15-9-12-28(18-4-6-19(7-5-18)29-11-2-10-26-29)22(30)21(15)16-3-8-20-17(13-16)14-25-23(24)27-20/h2-14H,1H3,(H2,24,25,27).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one?
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one has a molecular weight of 394.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-pyrazol-1-ylphenyl)pyridin-2-one is sourced from PubChem (CID 24879245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).