(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide

C19H17N3O4 — CID 136696075

IUPAC(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
SMILESCOc1cccc(/C=C\C(=O)Nc2ccc3nc[nH]c(=O)c3c2)c1OC
InChIInChI=1S/C19H17N3O4/c1-25-16-5-3-4-12(18(16)26-2)6-9-17(23)22-13-7-8-15-14(10-13)19(24)21-11-20-15/h3-11H,1-2H3,(H,22,23)(H,20,21,24)/b9-6-
InChIKeyXJTIPVMNUWOKKA-TWGQIWQCSA-N
MW351.36 g/mol
LogP2.59
Rot. Bonds5

About (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide

(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide (PubChem CID 136696075) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
PubChem CID136696075
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
SMILESCOc1cccc(/C=C\C(=O)Nc2ccc3nc[nH]c(=O)c3c2)c1OC
InChIInChI=1S/C19H17N3O4/c1-25-16-5-3-4-12(18(16)26-2)6-9-17(23)22-13-7-8-15-14(10-13)19(24)21-11-20-15/h3-11H,1-2H3,(H,22,23)(H,20,21,24)/b9-6-
InChIKeyXJTIPVMNUWOKKA-TWGQIWQCSA-N
XLogP2.59
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928435
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940
3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 3490612
3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 4244682
(E)-N-[4-(azepan-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7582196
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide (CID 136696075) is (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide is COc1cccc(/C=C\C(=O)Nc2ccc3nc[nH]c(=O)c3c2)c1OC.
What is the InChIKey of (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
The InChIKey is XJTIPVMNUWOKKA-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-16-5-3-4-12(18(16)26-2)6-9-17(23)22-13-7-8-15-14(10-13)19(24)21-11-20-15/h3-11H,1-2H3,(H,22,23)(H,20,21,24)/b9-6-.
What are the key properties of (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide has a molecular weight of 351.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide is sourced from PubChem (CID 136696075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).