3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one

C21H18N4O2 — CID 24879309

IUPAC3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C21H18N4O2/c1-13-9-10-25(16-4-6-17(27-2)7-5-16)20(26)19(13)14-3-8-18-15(11-14)12-23-21(22)24-18/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyHQVKWOAGEPGZAS-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.35
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one

3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one (PubChem CID 24879309) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one
PubChem CID24879309
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C21H18N4O2/c1-13-9-10-25(16-4-6-17(27-2)7-5-16)20(26)19(13)14-3-8-18-15(11-14)12-23-21(22)24-18/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyHQVKWOAGEPGZAS-UHFFFAOYSA-N
XLogP3.35
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one (CID 24879309) is 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one is COc1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one?
The InChIKey is HQVKWOAGEPGZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-9-10-25(16-4-6-17(27-2)7-5-16)20(26)19(13)14-3-8-18-15(11-14)12-23-21(22)24-18/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one has a molecular weight of 358.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).