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

C20H14ClFN4O — CID 24879242

IUPAC3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(Cl)c(F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C20H14ClFN4O/c1-11-6-7-26(14-3-4-15(21)16(22)9-14)19(27)18(11)12-2-5-17-13(8-12)10-24-20(23)25-17/h2-10H,1H3,(H2,23,24,25)
InChIKeyPPISEWGPTNCYKY-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.13
Rot. Bonds2

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

3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one (PubChem CID 24879242) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one
PubChem CID24879242
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(Cl)c(F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C20H14ClFN4O/c1-11-6-7-26(14-3-4-15(21)16(22)9-14)19(27)18(11)12-2-5-17-13(8-12)10-24-20(23)25-17/h2-10H,1H3,(H2,23,24,25)
InChIKeyPPISEWGPTNCYKY-UHFFFAOYSA-N
XLogP4.13
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.13
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-chloro-3-fluorophenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one (CID 24879242) is 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one is Cc1ccn(-c2ccc(Cl)c(F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one?
The InChIKey is PPISEWGPTNCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-11-6-7-26(14-3-4-15(21)16(22)9-14)19(27)18(11)12-2-5-17-13(8-12)10-24-20(23)25-17/h2-10H,1H3,(H2,23,24,25).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(4-chloro-3-fluorophenyl)-4-methylpyridin-2-one has a molecular weight of 380.81 g/mol, XLogP of 4.13, 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-chloro-3-fluorophenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).