3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione

C10H10ClN3O2 — CID 117262250

IUPAC3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
SMILESCC(N)n1c(=O)[nH]c2cccc(Cl)c2c1=O
InChIInChI=1S/C10H10ClN3O2/c1-5(12)14-9(15)8-6(11)3-2-4-7(8)13-10(14)16/h2-5H,12H2,1H3,(H,13,16)
InChIKeyQBDWXZGJJFYZQK-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.82
Rot. Bonds1

About 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione

3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione (PubChem CID 117262250) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
PubChem CID117262250
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
SMILESCC(N)n1c(=O)[nH]c2cccc(Cl)c2c1=O
InChIInChI=1S/C10H10ClN3O2/c1-5(12)14-9(15)8-6(11)3-2-4-7(8)13-10(14)16/h2-5H,12H2,1H3,(H,13,16)
InChIKeyQBDWXZGJJFYZQK-UHFFFAOYSA-N
XLogP0.82
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-chloro-1H-quinazoline-2,4-dione
CID 117262244
5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261068
5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione
CID 117260994
5-chloro-3-(1,1-dioxothiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260913
3,4,5-trichloro-1H-quinolin-2-one
CID 142762208
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117263269
3-[(1S)-1-(2-amino-8-oxo-7H-purin-9-yl)ethyl]-8-chloro-2-phenylisoquinolin-1-one
CID 71232809
8-chloro-3-[1-(2-chloro-8-oxo-7H-purin-9-yl)ethyl]-2-phenylisoquinolin-1-one
CID 123677235
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione (CID 117262250) is 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione is CC(N)n1c(=O)[nH]c2cccc(Cl)c2c1=O.
What is the InChIKey of 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione?
The InChIKey is QBDWXZGJJFYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-5(12)14-9(15)8-6(11)3-2-4-7(8)13-10(14)16/h2-5H,12H2,1H3,(H,13,16).
What are the key properties of 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione?
3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione has a molecular weight of 239.66 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).