methane;3H-quinazolin-4-one

C9H10N2O — CID 143348425

IUPACmethane;3H-quinazolin-4-one
SMILESC.O=c1[nH]cnc2ccccc12
InChIInChI=1S/C8H6N2O.CH4/c11-8-6-3-1-2-4-7(6)9-5-10-8;/h1-5H,(H,9,10,11);1H4
InChIKeyPWRQCEQAENEFPE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.56
Rot. Bonds

About methane;3H-quinazolin-4-one

methane;3H-quinazolin-4-one (PubChem CID 143348425) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is methane;3H-quinazolin-4-one.

Molecular Properties

Compound Namemethane;3H-quinazolin-4-one
PubChem CID143348425
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Namemethane;3H-quinazolin-4-one
SMILESC.O=c1[nH]cnc2ccccc12
InChIInChI=1S/C8H6N2O.CH4/c11-8-6-3-1-2-4-7(6)9-5-10-8;/h1-5H,(H,9,10,11);1H4
InChIKeyPWRQCEQAENEFPE-UHFFFAOYSA-N
XLogP1.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
3H-pyrimido[5,4-c]quinolin-4-one
CID 135802600
6-deuterio-3H-quinazolin-4-one
CID 175821889
4-chloroquinazoline;phosphoryl trichloride;3H-quinazolin-4-one
CID 158793020
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
6-phenyl-3H-quinazolin-4-one
CID 135741302
4-sulfinyl-3H-quinazoline
CID 119084682
2H-pyrido[3,2-f]quinazolin-1-one
CID 135776062
7-pyridin-2-yl-3H-quinazolin-4-one
CID 135682059
acetic acid;methyl acetate;3-methylquinazolin-4-one;bis(3H-quinazolin-4-one)
CID 159744431
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573

Frequently Asked Questions

What is the IUPAC name of methane;3H-quinazolin-4-one?
The IUPAC name of methane;3H-quinazolin-4-one (CID 143348425) is methane;3H-quinazolin-4-one.
What is the SMILES notation for methane;3H-quinazolin-4-one?
The canonical SMILES for methane;3H-quinazolin-4-one is C.O=c1[nH]cnc2ccccc12.
What is the InChIKey of methane;3H-quinazolin-4-one?
The InChIKey is PWRQCEQAENEFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.CH4/c11-8-6-3-1-2-4-7(6)9-5-10-8;/h1-5H,(H,9,10,11);1H4.
What are the key properties of methane;3H-quinazolin-4-one?
methane;3H-quinazolin-4-one has a molecular weight of 162.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3H-quinazolin-4-one is sourced from PubChem (CID 143348425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).