(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one

C16H15ClN2O — CID 901938

IUPAC(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
SMILESCC[C@H]1NC(=O)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-2-15-18-16(20)13-8-3-4-9-14(13)19(15)12-7-5-6-11(17)10-12/h3-10,15H,2H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyVBYRNLRQVMTJIE-HNNXBMFYSA-N
MW286.76 g/mol
LogP3.96
Rot. Bonds2

About (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one

(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one (PubChem CID 901938) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
PubChem CID901938
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
SMILESCC[C@H]1NC(=O)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-2-15-18-16(20)13-8-3-4-9-14(13)19(15)12-7-5-6-11(17)10-12/h3-10,15H,2H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyVBYRNLRQVMTJIE-HNNXBMFYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
CID 3249189
2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole
CID 130241934
3-tert-butyl-1-(3-chlorophenyl)-6-ethylpiperazine-2,5-dione
CID 64961220
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084
2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
CID 25494242
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
CID 112757920
2-(3-chlorophenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944685
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910128
3-ethyl-1-(2-methylbutyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910662
1-[(3-chlorophenyl)methyl]-2,2-dioxo-2λ6,1,3-benzothiadiazin-4-one
CID 10782129

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one (CID 901938) is (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one is CC[C@H]1NC(=O)c2ccccc2N1c1cccc(Cl)c1.
What is the InChIKey of (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
The InChIKey is VBYRNLRQVMTJIE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-15-18-16(20)13-8-3-4-9-14(13)19(15)12-7-5-6-11(17)10-12/h3-10,15H,2H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one?
(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one has a molecular weight of 286.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 901938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).