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

C20H15ClN4O — CID 24879184

IUPAC3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(Cl)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C20H15ClN4O/c1-12-8-9-25(16-5-3-15(21)4-6-16)19(26)18(12)13-2-7-17-14(10-13)11-23-20(22)24-17/h2-11H,1H3,(H2,22,23,24)
InChIKeyPBQIIKOVMRFZEQ-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.99
Rot. Bonds2

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

3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one (PubChem CID 24879184) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one
PubChem CID24879184
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(Cl)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C20H15ClN4O/c1-12-8-9-25(16-5-3-15(21)4-6-16)19(26)18(12)13-2-7-17-14(10-13)11-23-20(22)24-17/h2-11H,1H3,(H2,22,23,24)
InChIKeyPBQIIKOVMRFZEQ-UHFFFAOYSA-N
XLogP3.99
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one (CID 24879184) is 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one is Cc1ccn(-c2ccc(Cl)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one?
The InChIKey is PBQIIKOVMRFZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-12-8-9-25(16-5-3-15(21)4-6-16)19(26)18(12)13-2-7-17-14(10-13)11-23-20(22)24-17/h2-11H,1H3,(H2,22,23,24).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one has a molecular weight of 362.82 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).