7,8-dihydro-1H-quinazolin-2-one

C8H8N2O — CID 123490481

IUPAC7,8-dihydro-1H-quinazolin-2-one
SMILESO=c1ncc2c([nH]1)CCC=C2
InChIInChI=1S/C8H8N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1,3,5H,2,4H2,(H,9,10,11)
InChIKeyZYSAQSQGKYFVGR-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.73
Rot. Bonds

About 7,8-dihydro-1H-quinazolin-2-one

7,8-dihydro-1H-quinazolin-2-one (PubChem CID 123490481) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 7,8-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7,8-dihydro-1H-quinazolin-2-one
PubChem CID123490481
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name7,8-dihydro-1H-quinazolin-2-one
SMILESO=c1ncc2c([nH]1)CCC=C2
InChIInChI=1S/C8H8N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1,3,5H,2,4H2,(H,9,10,11)
InChIKeyZYSAQSQGKYFVGR-UHFFFAOYSA-N
XLogP0.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Propan-2-yl)-1,2-dihydroquinazolin-2-one
CID 13724869
4-Methylquinazolin-2(1H)-one
CID 3015712
4-Propyl-quinazolinone
CID 129858362
4-Dihydro-6-methyl-4-phenyl pyrimidin-2(1h)-one
CID 129845312
4-ethyl-8-fluoro-3H-quinazolin-2-one
CID 105445739
8-fluoro-4-propyl-3H-quinazolin-2-one
CID 105458506
6-fluoro-4-propyl-3H-quinazolin-2-one
CID 105458508
7-fluoro-4-propyl-3H-quinazolin-2-one
CID 105458510
4-(2-aminoethyl)-8-fluoro-3H-quinazolin-2-one
CID 105459964
4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one
CID 105459967
4-(2-aminoethyl)-6-fluoro-3H-quinazolin-2-one
CID 105459970
4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one
CID 105477197

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7,8-dihydro-1H-quinazolin-2-one (CID 123490481) is 7,8-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7,8-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7,8-dihydro-1H-quinazolin-2-one is O=c1ncc2c([nH]1)CCC=C2.
What is the InChIKey of 7,8-dihydro-1H-quinazolin-2-one?
The InChIKey is ZYSAQSQGKYFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1,3,5H,2,4H2,(H,9,10,11).
What are the key properties of 7,8-dihydro-1H-quinazolin-2-one?
7,8-dihydro-1H-quinazolin-2-one has a molecular weight of 148.16 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 123490481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).