3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione

C11H12ClN3O2 — CID 117263361

IUPAC3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione
SMILESNCCCn1c(=O)[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C11H12ClN3O2/c12-8-4-1-3-7-9(8)14-11(17)15(10(7)16)6-2-5-13/h1,3-4H,2,5-6,13H2,(H,14,17)
InChIKeyPUULUISYPLNVRU-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione

3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione (PubChem CID 117263361) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione
PubChem CID117263361
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione
SMILESNCCCn1c(=O)[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C11H12ClN3O2/c12-8-4-1-3-7-9(8)14-11(17)15(10(7)16)6-2-5-13/h1,3-4H,2,5-6,13H2,(H,14,17)
InChIKeyPUULUISYPLNVRU-UHFFFAOYSA-N
XLogP0.69
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminopropyl)-8-chloro-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

3-(3-aminopropyl)-8-bromo-1H-quinazoline-2,4-dione
CID 117263362
3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263372
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
2-(3-aminopropyl)-5-chloro-3-methylphthalazine-1,4-dione
CID 90682383
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117263269
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
CID 117261812
2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83834899
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
CID 56528222

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione (CID 117263361) is 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione is NCCCn1c(=O)[nH]c2c(Cl)cccc2c1=O.
What is the InChIKey of 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione?
The InChIKey is PUULUISYPLNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-4-1-3-7-9(8)14-11(17)15(10(7)16)6-2-5-13/h1,3-4H,2,5-6,13H2,(H,14,17).
What are the key properties of 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione?
3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117263361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).