3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C22H20N2O2 — CID 563542

IUPAC3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C22H20N2O2/c1-26-18-11-7-10-17(14-18)21-23-20-13-6-5-12-19(20)22(25)24(21)15-16-8-3-2-4-9-16/h2-14,21,23H,15H2,1H3
InChIKeyQJNJXXQOYUYPMO-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.46
Rot. Bonds4

About 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one

3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 563542) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID563542
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C22H20N2O2/c1-26-18-11-7-10-17(14-18)21-23-20-13-6-5-12-19(20)22(25)24(21)15-16-8-3-2-4-9-16/h2-14,21,23H,15H2,1H3
InChIKeyQJNJXXQOYUYPMO-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2S)-2-(3-methoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 25351324
3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109
(3R)-2-benzyl-3-(3-methoxyphenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 983041
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
(2S)-3-[(4-methylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006565
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 563542) is 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QJNJXXQOYUYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-18-11-7-10-17(14-18)21-23-20-13-6-5-12-19(20)22(25)24(21)15-16-8-3-2-4-9-16/h2-14,21,23H,15H2,1H3.
What are the key properties of 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 563542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).