1-quinazolin-8-ylethanone

C10H8N2O — CID 133054945

IUPAC1-quinazolin-8-ylethanone
SMILESCC(=O)c1cccc2cncnc12
InChIInChI=1S/C10H8N2O/c1-7(13)9-4-2-3-8-5-11-6-12-10(8)9/h2-6H,1H3
InChIKeyRFHJYKZILUZVCQ-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.83
Rot. Bonds1

About 1-quinazolin-8-ylethanone

1-quinazolin-8-ylethanone (PubChem CID 133054945) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-quinazolin-8-ylethanone.

Molecular Properties

Compound Name1-quinazolin-8-ylethanone
PubChem CID133054945
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-quinazolin-8-ylethanone
SMILESCC(=O)c1cccc2cncnc12
InChIInChI=1S/C10H8N2O/c1-7(13)9-4-2-3-8-5-11-6-12-10(8)9/h2-6H,1H3
InChIKeyRFHJYKZILUZVCQ-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydron;quinazolin-8-yl acetate
CID 174628972
N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide
CID 140575351
N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide
CID 175774324
N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide
CID 140575340
quinazoline-8-sulfinic acid
CID 57009090
N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide
CID 140575355
8-(disulfanyl)quinazoline
CID 90111320
quinazoline-8-sulfonamide
CID 141414949
1-(2-methyl-1,3-benzoxazol-4-yl)ethanone
CID 59626054
difluoro-methyl-quinazolin-8-yl-λ4-sulfane
CID 170784627
1-(3-methoxyquinoxalin-5-yl)ethanone
CID 69059275
pyrido[3,2-h]quinazoline
CID 55297723

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-8-ylethanone?
The IUPAC name of 1-quinazolin-8-ylethanone (CID 133054945) is 1-quinazolin-8-ylethanone.
What is the SMILES notation for 1-quinazolin-8-ylethanone?
The canonical SMILES for 1-quinazolin-8-ylethanone is CC(=O)c1cccc2cncnc12.
What is the InChIKey of 1-quinazolin-8-ylethanone?
The InChIKey is RFHJYKZILUZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-7(13)9-4-2-3-8-5-11-6-12-10(8)9/h2-6H,1H3.
What are the key properties of 1-quinazolin-8-ylethanone?
1-quinazolin-8-ylethanone has a molecular weight of 172.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-8-ylethanone is sourced from PubChem (CID 133054945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).