2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide

C16H14ClN3O2 — CID 25494242

IUPAC2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
SMILESNC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-11-5-3-4-10(8-11)15-19-16(22)12-6-1-2-7-13(12)20(15)9-14(18)21/h1-8,15H,9H2,(H2,18,21)(H,19,22)/t15-/m0/s1
InChIKeyYPSJWGOKYHQAPZ-HNNXBMFYSA-N
MW315.76 g/mol
LogP2.07
Rot. Bonds3

About 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide

2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide (PubChem CID 25494242) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
PubChem CID25494242
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
SMILESNC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-11-5-3-4-10(8-11)15-19-16(22)12-6-1-2-7-13(12)20(15)9-14(18)21/h1-8,15H,9H2,(H2,18,21)(H,19,22)/t15-/m0/s1
InChIKeyYPSJWGOKYHQAPZ-HNNXBMFYSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
CID 42942465
2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
CID 42942467
2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide
CID 42942471
2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779414
(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
CID 901938
1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
CID 3249189
2-[3-(3-chlorophenyl)-2,4-dioxoazetidin-1-yl]acetic acid
CID 70623192
3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 55355501
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
1-(3-chlorophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 86585689
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
(2S)-1-benzoyl-2-(3-chlorophenyl)-2H-3,1-benzoxazin-4-one
CID 1049886

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide (CID 25494242) is 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide is NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The InChIKey is YPSJWGOKYHQAPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-11-5-3-4-10(8-11)15-19-16(22)12-6-1-2-7-13(12)20(15)9-14(18)21/h1-8,15H,9H2,(H2,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide has a molecular weight of 315.76 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide is sourced from PubChem (CID 25494242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).