3-phthalazin-1-ylquinazolin-4-one

C16H10N4O — CID 91403899

IUPAC3-phthalazin-1-ylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1nncc2ccccc12
InChIInChI=1S/C16H10N4O/c21-16-13-7-3-4-8-14(13)17-10-20(16)15-12-6-2-1-5-11(12)9-18-19-15/h1-10H
InChIKeyWOUDYAPFAFFZBQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.33
Rot. Bonds1

About 3-phthalazin-1-ylquinazolin-4-one

3-phthalazin-1-ylquinazolin-4-one (PubChem CID 91403899) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-phthalazin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name3-phthalazin-1-ylquinazolin-4-one
PubChem CID91403899
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name3-phthalazin-1-ylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1nncc2ccccc12
InChIInChI=1S/C16H10N4O/c21-16-13-7-3-4-8-14(13)17-10-20(16)15-12-6-2-1-5-11(12)9-18-19-15/h1-10H
InChIKeyWOUDYAPFAFFZBQ-UHFFFAOYSA-N
XLogP2.33
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyltetrazol-5-yl)quinazolin-4-one
CID 14022304
3-thiophen-2-ylquinazolin-4-one
CID 14492504
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
CID 118168715
3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 102030654
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
1-(1,2,4-triazol-1-yl)phthalazine
CID 55239789
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine
CID 55153163
5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
CID 103099031
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421

Frequently Asked Questions

What is the IUPAC name of 3-phthalazin-1-ylquinazolin-4-one?
The IUPAC name of 3-phthalazin-1-ylquinazolin-4-one (CID 91403899) is 3-phthalazin-1-ylquinazolin-4-one.
What is the SMILES notation for 3-phthalazin-1-ylquinazolin-4-one?
The canonical SMILES for 3-phthalazin-1-ylquinazolin-4-one is O=c1c2ccccc2ncn1-c1nncc2ccccc12.
What is the InChIKey of 3-phthalazin-1-ylquinazolin-4-one?
The InChIKey is WOUDYAPFAFFZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c21-16-13-7-3-4-8-14(13)17-10-20(16)15-12-6-2-1-5-11(12)9-18-19-15/h1-10H.
What are the key properties of 3-phthalazin-1-ylquinazolin-4-one?
3-phthalazin-1-ylquinazolin-4-one has a molecular weight of 274.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phthalazin-1-ylquinazolin-4-one is sourced from PubChem (CID 91403899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).