2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate

C20H18N2O3 — CID 71964243

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate
SMILESCc1nc2ccccc2c(=O)n1CCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-15-21-18-10-6-5-9-17(18)20(24)22(15)13-14-25-19(23)12-11-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyRAPKNJIWMSBCFY-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate

2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate (PubChem CID 71964243) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate
PubChem CID71964243
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate
SMILESCc1nc2ccccc2c(=O)n1CCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-15-21-18-10-6-5-9-17(18)20(24)22(15)13-14-25-19(23)12-11-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyRAPKNJIWMSBCFY-UHFFFAOYSA-N
XLogP2.96
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4,6-trioxo-3,5-bis[2-(3-phenylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-phenylprop-2-enoate
CID 89491265
2-(2-methylbenzimidazol-1-yl)ethyl (Z)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoate
CID 94644270
2-(2-methyl-5-nitroimidazol-1-yl)ethyl (E)-3-phenylprop-2-enoate
CID 10614224
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
ethyl 3-[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]-2-phenoxypropanoate
CID 54415396
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663857
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate (CID 71964243) is 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate is Cc1nc2ccccc2c(=O)n1CCOC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate?
The InChIKey is RAPKNJIWMSBCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-15-21-18-10-6-5-9-17(18)20(24)22(15)13-14-25-19(23)12-11-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3.
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate?
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate has a molecular weight of 334.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 71964243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).