5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one

C17H18N2O — CID 46232573

IUPAC5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one
SMILESCc1cccc2c1CN(CCc1ccccc1)C(=O)N2
InChIInChI=1S/C17H18N2O/c1-13-6-5-9-16-15(13)12-19(17(20)18-16)11-10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyVQVYVDQVNYUNNH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds3

About 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one

5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one (PubChem CID 46232573) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one
PubChem CID46232573
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one
SMILESCc1cccc2c1CN(CCc1ccccc1)C(=O)N2
InChIInChI=1S/C17H18N2O/c1-13-6-5-9-16-15(13)12-19(17(20)18-16)11-10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyVQVYVDQVNYUNNH-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4528
1-Benzyl-3-(1-naphthyl)urea
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CID 99645
Atglistatin
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1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
N-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 594820
2,2-Dimethyl-2,3-dihydroperimidine
CID 72628
(S)-Nomifensine
CID 55993
1-Piperazinecarboxylic acid, 4-(1-naphthylcarbamoyl)-, ethyl ester
CID 379219
(+)-Nomifensine
CID 12884652
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1-Benzyl-1-methyl-3-phenylurea
CID 306455

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one (CID 46232573) is 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one is Cc1cccc2c1CN(CCc1ccccc1)C(=O)N2.
What is the InChIKey of 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is VQVYVDQVNYUNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-6-5-9-16-15(13)12-19(17(20)18-16)11-10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one?
5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenylethyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 46232573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).