ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one

C27H34N2O — CID 142888475

IUPACethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
SMILESCC.CC.CC.Cc1cccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C21H16N2O.3C2H6/c1-15-8-7-9-16(14-15)20-22-19-13-6-5-12-18(19)21(24)23(20)17-10-3-2-4-11-17;3*1-2/h2-14H,1H3;3*1-2H3
InChIKeyMBJCBVOKOZRAAL-UHFFFAOYSA-N
MW402.58 g/mol
LogP7.44
Rot. Bonds2

About ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one

ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one (PubChem CID 142888475) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Nameethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
PubChem CID142888475
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Nameethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
SMILESCC.CC.CC.Cc1cccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C21H16N2O.3C2H6/c1-15-8-7-9-16(14-15)20-22-19-13-6-5-12-18(19)21(24)23(20)17-10-3-2-4-11-17;3*1-2/h2-14H,1H3;3*1-2H3
InChIKeyMBJCBVOKOZRAAL-UHFFFAOYSA-N
XLogP7.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 722908
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
CID 102437700

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one?
The IUPAC name of ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one (CID 142888475) is ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one?
The canonical SMILES for ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one is CC.CC.CC.Cc1cccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)c1.
What is the InChIKey of ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one?
The InChIKey is MBJCBVOKOZRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O.3C2H6/c1-15-8-7-9-16(14-15)20-22-19-13-6-5-12-18(19)21(24)23(20)17-10-3-2-4-11-17;3*1-2/h2-14H,1H3;3*1-2H3.
What are the key properties of ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one?
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one has a molecular weight of 402.58 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 142888475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).