8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione

C11H12ClN3O2 — CID 117263269

IUPAC8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
SMILESCNC(C)n1c(=O)[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C11H12ClN3O2/c1-6(13-2)15-10(16)7-4-3-5-8(12)9(7)14-11(15)17/h3-6,13H,1-2H3,(H,14,17)
InChIKeySYEBRTXDTLWVGT-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.08
Rot. Bonds2

About 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione

8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 117263269) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
PubChem CID117263269
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
SMILESCNC(C)n1c(=O)[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C11H12ClN3O2/c1-6(13-2)15-10(16)7-4-3-5-8(12)9(7)14-11(15)17/h3-6,13H,1-2H3,(H,14,17)
InChIKeySYEBRTXDTLWVGT-UHFFFAOYSA-N
XLogP1.08
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione 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

8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione
CID 117263361
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
CID 117261812
8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117263297
3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
CID 117262250
5-(3-bromophenyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 113404386
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117206604
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016607
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261970
6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione
CID 10848189

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione (CID 117263269) is 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione is CNC(C)n1c(=O)[nH]c2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is SYEBRTXDTLWVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6(13-2)15-10(16)7-4-3-5-8(12)9(7)14-11(15)17/h3-6,13H,1-2H3,(H,14,17).
What are the key properties of 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117263269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).