(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate

C15H11N2O3- — CID 6920169

IUPAC(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
SMILESO=C1N[C@](C(=O)[O-])(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-13-11-8-4-5-9-12(11)16-15(17-13,14(19)20)10-6-2-1-3-7-10/h1-9,16H,(H,17,18)(H,19,20)/p-1/t15-/m0/s1
InChIKeyJETYCIZSGGREOZ-HNNXBMFYSA-M
MW267.26 g/mol
LogP0.44
Rot. Bonds2

About (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate

(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate (PubChem CID 6920169) has the molecular formula C15H11N2O3- and a molecular weight of 267.26 g/mol. Its IUPAC name is (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate.

Molecular Properties

Compound Name(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
PubChem CID6920169
Molecular FormulaC15H11N2O3-
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
SMILESO=C1N[C@](C(=O)[O-])(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-13-11-8-4-5-9-12(11)16-15(17-13,14(19)20)10-6-2-1-3-7-10/h1-9,16H,(H,17,18)(H,19,20)/p-1/t15-/m0/s1
InChIKeyJETYCIZSGGREOZ-HNNXBMFYSA-M
XLogP0.44
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc
CID 45050017
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 5177010
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
2,2-diethyl-1,3-dihydroquinazolin-4-one
CID 12925301
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
2-ethenyl-2-phenyl-1H-indol-3-one
CID 11118014
2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one
CID 45113433
isoindole-1,3-dione;phenol
CID 157178846
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582

Frequently Asked Questions

What is the IUPAC name of (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
The IUPAC name of (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate (CID 6920169) is (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate.
What is the SMILES notation for (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
The canonical SMILES for (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate is O=C1N[C@](C(=O)[O-])(c2ccccc2)Nc2ccccc21.
What is the InChIKey of (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
The InChIKey is JETYCIZSGGREOZ-HNNXBMFYSA-M. The full InChI is InChI=1S/C15H12N2O3/c18-13-11-8-4-5-9-12(11)16-15(17-13,14(19)20)10-6-2-1-3-7-10/h1-9,16H,(H,17,18)(H,19,20)/p-1/t15-/m0/s1.
What are the key properties of (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate has a molecular weight of 267.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate is sourced from PubChem (CID 6920169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).