3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid

C17H16N4O3 — CID 97449963

IUPAC3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
SMILESCn1nccc1/C=C\c1nc2ccccc2c(=O)n1CCC(=O)O
InChIInChI=1S/C17H16N4O3/c1-20-12(8-10-18-20)6-7-15-19-14-5-3-2-4-13(14)17(24)21(15)11-9-16(22)23/h2-8,10H,9,11H2,1H3,(H,22,23)/b7-6-
InChIKeyVTWVGLPRCUQDSM-SREVYHEPSA-N
MW324.34 g/mol
LogP1.78
Rot. Bonds5

About 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid

3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid (PubChem CID 97449963) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
PubChem CID97449963
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
SMILESCn1nccc1/C=C\c1nc2ccccc2c(=O)n1CCC(=O)O
InChIInChI=1S/C17H16N4O3/c1-20-12(8-10-18-20)6-7-15-19-14-5-3-2-4-13(14)17(24)21(15)11-9-16(22)23/h2-8,10H,9,11H2,1H3,(H,22,23)/b7-6-
InChIKeyVTWVGLPRCUQDSM-SREVYHEPSA-N
XLogP1.78
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 36979871
3-[2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 43062134
3-[2-[(E)-2-(3-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 36979873
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 2893509
3-[2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 45459424
3-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 3140396
3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
CID 62920129
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[4-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-4-oxoquinazolin-3-yl]butyl]quinazolin-4-one
CID 138858437
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-butylquinazolin-4-one
CID 118734930
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid?
The IUPAC name of 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid (CID 97449963) is 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid is Cn1nccc1/C=C\c1nc2ccccc2c(=O)n1CCC(=O)O.
What is the InChIKey of 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid?
The InChIKey is VTWVGLPRCUQDSM-SREVYHEPSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-20-12(8-10-18-20)6-7-15-19-14-5-3-2-4-13(14)17(24)21(15)11-9-16(22)23/h2-8,10H,9,11H2,1H3,(H,22,23)/b7-6-.
What are the key properties of 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid?
3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid is sourced from PubChem (CID 97449963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).