2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide

C20H19N3O3 — CID 3297643

IUPAC2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide
SMILESC=CCn1c(=O)[nH]c2cc(C(=O)NCCc3ccccc3)ccc2c1=O
InChIInChI=1S/C20H19N3O3/c1-2-12-23-19(25)16-9-8-15(13-17(16)22-20(23)26)18(24)21-11-10-14-6-4-3-5-7-14/h2-9,13H,1,10-12H2,(H,21,24)(H,22,26)
InChIKeyVIHIBODLRYVWSG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.85
Rot. Bonds6

About 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide

2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide (PubChem CID 3297643) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide
PubChem CID3297643
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide
SMILESC=CCn1c(=O)[nH]c2cc(C(=O)NCCc3ccccc3)ccc2c1=O
InChIInChI=1S/C20H19N3O3/c1-2-12-23-19(25)16-9-8-15(13-17(16)22-20(23)26)18(24)21-11-10-14-6-4-3-5-7-14/h2-9,13H,1,10-12H2,(H,21,24)(H,22,26)
InChIKeyVIHIBODLRYVWSG-UHFFFAOYSA-N
XLogP1.85
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4982807
N-(3,3-diphenylpropyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24536526
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 38228234
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
3-methyl-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27671024
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 121020867
N-[2-(1-benzothiophen-3-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 87020530
ethyl 2,4-dioxo-3-prop-2-enyl-1H-quinazoline-7-carboxylate
CID 53243737
diethyl-[2-[4-oxo-7-(2-phenylethylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium
CID 5083501
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 56546787
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
N-[(3-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4983183

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide (CID 3297643) is 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide is C=CCn1c(=O)[nH]c2cc(C(=O)NCCc3ccccc3)ccc2c1=O.
What is the InChIKey of 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide?
The InChIKey is VIHIBODLRYVWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-12-23-19(25)16-9-8-15(13-17(16)22-20(23)26)18(24)21-11-10-14-6-4-3-5-7-14/h2-9,13H,1,10-12H2,(H,21,24)(H,22,26).
What are the key properties of 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide?
2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 3297643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).