2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one

C16H13N3O — CID 137193134

IUPAC2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
SMILESNc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H13N3O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,17H2,(H,18,19,20)
InChIKeyINGNDQYFXBCVDR-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.68
Rot. Bonds2

About 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one

2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 137193134) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID137193134
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
SMILESNc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H13N3O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,17H2,(H,18,19,20)
InChIKeyINGNDQYFXBCVDR-UHFFFAOYSA-N
XLogP2.68
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135514039
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083
2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate
CID 135401356
2-[(E)-2-(5-bromo-1,3-benzodioxol-4-yl)ethenyl]-3H-quinazolin-4-one
CID 155541513
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one (CID 137193134) is 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one is Nc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is INGNDQYFXBCVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,17H2,(H,18,19,20).
What are the key properties of 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one?
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 263.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137193134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).