6-anilino-3-benzhydryl-2-methylquinazolin-4-one

C28H23N3O — CID 58186948

IUPAC6-anilino-3-benzhydryl-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Nc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O/c1-20-29-26-18-17-24(30-23-15-9-4-10-16-23)19-25(26)28(32)31(20)27(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-19,27,30H,1H3
InChIKeyWNNPELREQIESLG-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.09
Rot. Bonds5

About 6-anilino-3-benzhydryl-2-methylquinazolin-4-one

6-anilino-3-benzhydryl-2-methylquinazolin-4-one (PubChem CID 58186948) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-anilino-3-benzhydryl-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-anilino-3-benzhydryl-2-methylquinazolin-4-one
PubChem CID58186948
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name6-anilino-3-benzhydryl-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Nc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O/c1-20-29-26-18-17-24(30-23-15-9-4-10-16-23)19-25(26)28(32)31(20)27(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-19,27,30H,1H3
InChIKeyWNNPELREQIESLG-UHFFFAOYSA-N
XLogP6.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Afloqualone
CID 2040
Azd-6703
CID 11373432
ME0328
CID 135566764
6-(N,N-dimethylamino)-2-(naphthalene-1-yl)-4-quinazolinone
CID 135659022
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide
CID 11224214
N-ethyl-4-methyl-3-[6-(4-methyl-piperazin-1-yl)-4-oxo-4H-quinazolin-3-yl]benzamide
CID 15951509
6-Aminomethaqualone
CID 63358

Frequently Asked Questions

What is the IUPAC name of 6-anilino-3-benzhydryl-2-methylquinazolin-4-one?
The IUPAC name of 6-anilino-3-benzhydryl-2-methylquinazolin-4-one (CID 58186948) is 6-anilino-3-benzhydryl-2-methylquinazolin-4-one.
What is the SMILES notation for 6-anilino-3-benzhydryl-2-methylquinazolin-4-one?
The canonical SMILES for 6-anilino-3-benzhydryl-2-methylquinazolin-4-one is Cc1nc2ccc(Nc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-anilino-3-benzhydryl-2-methylquinazolin-4-one?
The InChIKey is WNNPELREQIESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-20-29-26-18-17-24(30-23-15-9-4-10-16-23)19-25(26)28(32)31(20)27(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-19,27,30H,1H3.
What are the key properties of 6-anilino-3-benzhydryl-2-methylquinazolin-4-one?
6-anilino-3-benzhydryl-2-methylquinazolin-4-one has a molecular weight of 417.51 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-3-benzhydryl-2-methylquinazolin-4-one is sourced from PubChem (CID 58186948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).