3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione

C16H12Cl2N2O2 — CID 90735232

IUPAC3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-11-6-5-10(13(18)9-11)7-8-20-15(21)12-3-1-2-4-14(12)19-16(20)22/h1-6,9H,7-8H2,(H,19,22)
InChIKeyFNFZBMNDYORJQR-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.24
Rot. Bonds3

About 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione

3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 90735232) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID90735232
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-11-6-5-10(13(18)9-11)7-8-20-15(21)12-3-1-2-4-14(12)19-16(20)22/h1-6,9H,7-8H2,(H,19,22)
InChIKeyFNFZBMNDYORJQR-UHFFFAOYSA-N
XLogP3.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chlorophenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 804985
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione
CID 605382
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
CID 56528222
N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4973826
N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4904089
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
1-[3-[2-(2,4-dichlorophenyl)ethyl]-2,4-dioxo-1H-quinazolin-7-yl]-3-[(1R,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiourea
CID 87509399
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 10674
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione
CID 3030727

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione (CID 90735232) is 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is FNFZBMNDYORJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-11-6-5-10(13(18)9-11)7-8-20-15(21)12-3-1-2-4-14(12)19-16(20)22/h1-6,9H,7-8H2,(H,19,22).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione?
3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 335.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 90735232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).