ethane;4-phenyl-1H-quinazolin-2-one

C18H22N2O — CID 159100188

IUPACethane;4-phenyl-1H-quinazolin-2-one
SMILESCC.CC.O=c1nc(-c2ccccc2)c2ccccc2[nH]1
InChIInChI=1S/C14H10N2O.2C2H6/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10;2*1-2/h1-9H,(H,15,16,17);2*1-2H3
InChIKeyKDEISQHMXPZXBO-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.64
Rot. Bonds1

About ethane;4-phenyl-1H-quinazolin-2-one

ethane;4-phenyl-1H-quinazolin-2-one (PubChem CID 159100188) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is ethane;4-phenyl-1H-quinazolin-2-one.

Molecular Properties

Compound Nameethane;4-phenyl-1H-quinazolin-2-one
PubChem CID159100188
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Nameethane;4-phenyl-1H-quinazolin-2-one
SMILESCC.CC.O=c1nc(-c2ccccc2)c2ccccc2[nH]1
InChIInChI=1S/C14H10N2O.2C2H6/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10;2*1-2/h1-9H,(H,15,16,17);2*1-2H3
InChIKeyKDEISQHMXPZXBO-UHFFFAOYSA-N
XLogP4.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
CID 144815674
2-chloro-4,6-diphenylquinazoline;4,6-diphenyl-1H-quinazolin-2-one
CID 161311284
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
CID 110181275
4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one
CID 91179092
3-phenyl-1,5-dihydropyrazolo[4,5-c]quinolin-4-one
CID 136740229
magnesium;2-aminobenzonitrile;benzene;ethyl carbonochloridate;4-phenyl-1H-quinazolin-2-one;bromide
CID 158278040
5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
CID 632724
4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
CID 59535812
4-hydrazinyl-1H-quinazolin-2-one
CID 66485278
10H-acridin-9-one;ethane
CID 91525380

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyl-1H-quinazolin-2-one?
The IUPAC name of ethane;4-phenyl-1H-quinazolin-2-one (CID 159100188) is ethane;4-phenyl-1H-quinazolin-2-one.
What is the SMILES notation for ethane;4-phenyl-1H-quinazolin-2-one?
The canonical SMILES for ethane;4-phenyl-1H-quinazolin-2-one is CC.CC.O=c1nc(-c2ccccc2)c2ccccc2[nH]1.
What is the InChIKey of ethane;4-phenyl-1H-quinazolin-2-one?
The InChIKey is KDEISQHMXPZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O.2C2H6/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10;2*1-2/h1-9H,(H,15,16,17);2*1-2H3.
What are the key properties of ethane;4-phenyl-1H-quinazolin-2-one?
ethane;4-phenyl-1H-quinazolin-2-one has a molecular weight of 282.39 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyl-1H-quinazolin-2-one is sourced from PubChem (CID 159100188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).