3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane

C20H29N3O2 — CID 91428000

IUPAC3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
SMILESCC.CC.CC.Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C14H11N3O2.3C2H6/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19;3*1-2/h1-8H,15H2,(H,16,19);3*1-2H3
InChIKeyFTWYZBRXTAVEFV-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.34
Rot. Bonds1

About 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane

3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane (PubChem CID 91428000) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane.

Molecular Properties

Compound Name3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
PubChem CID91428000
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
SMILESCC.CC.CC.Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C14H11N3O2.3C2H6/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19;3*1-2/h1-8H,15H2,(H,16,19);3*1-2H3
InChIKeyFTWYZBRXTAVEFV-UHFFFAOYSA-N
XLogP4.34
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-1H-1,3-benzodiazepine-2,4,5-trione
CID 102282409
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 4075223
N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
CID 3600020
ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate
CID 3238846
3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
CID 17221479
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
3-[4-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15134035
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
3-quinolin-3-yl-1H-quinazoline-2,4-dione
CID 17221486
7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
CID 21275141
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718439

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane?
The IUPAC name of 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane (CID 91428000) is 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane.
What is the SMILES notation for 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane?
The canonical SMILES for 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane is CC.CC.CC.Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane?
The InChIKey is FTWYZBRXTAVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2.3C2H6/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19;3*1-2/h1-8H,15H2,(H,16,19);3*1-2H3.
What are the key properties of 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane?
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane has a molecular weight of 343.47 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane is sourced from PubChem (CID 91428000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).