(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one

C18H14N4O — CID 94548593

IUPAC(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2cnc(-c3ccccc3)nc2)Nc2ccccc21
InChIInChI=1S/C18H14N4O/c23-18-14-8-4-5-9-15(14)21-17(22-18)13-10-19-16(20-11-13)12-6-2-1-3-7-12/h1-11,17,21H,(H,22,23)/t17-/m0/s1
InChIKeyUVALBMZEVQVIEX-KRWDZBQOSA-N
MW302.34 g/mol
LogP3.00
Rot. Bonds2

About (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 94548593) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID94548593
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2cnc(-c3ccccc3)nc2)Nc2ccccc21
InChIInChI=1S/C18H14N4O/c23-18-14-8-4-5-9-15(14)21-17(22-18)13-10-19-16(20-11-13)12-6-2-1-3-7-12/h1-11,17,21H,(H,22,23)/t17-/m0/s1
InChIKeyUVALBMZEVQVIEX-KRWDZBQOSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
CID 57333053
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 34364364
2-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 42926555
2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 70206488
2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 47061138
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 25355031
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 18403958
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 94548593) is (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@@H](c2cnc(-c3ccccc3)nc2)Nc2ccccc21.
What is the InChIKey of (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is UVALBMZEVQVIEX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-14-8-4-5-9-15(14)21-17(22-18)13-10-19-16(20-11-13)12-6-2-1-3-7-12/h1-11,17,21H,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 302.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 94548593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).