3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione

C13H17N3O2 — CID 117263358

IUPAC3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(CCCN)c(=O)n(C)c12
InChIInChI=1S/C13H17N3O2/c1-9-5-3-6-10-11(9)15(2)13(18)16(12(10)17)8-4-7-14/h3,5-6H,4,7-8,14H2,1-2H3
InChIKeyPXYCDLVATCXKQZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.36
Rot. Bonds3

About 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione

3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione (PubChem CID 117263358) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
PubChem CID117263358
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(CCCN)c(=O)n(C)c12
InChIInChI=1S/C13H17N3O2/c1-9-5-3-6-10-11(9)15(2)13(18)16(12(10)17)8-4-7-14/h3,5-6H,4,7-8,14H2,1-2H3
InChIKeyPXYCDLVATCXKQZ-UHFFFAOYSA-N
XLogP0.36
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione (CID 117263358) is 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione is Cc1cccc2c(=O)n(CCCN)c(=O)n(C)c12.
What is the InChIKey of 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione?
The InChIKey is PXYCDLVATCXKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-5-3-6-10-11(9)15(2)13(18)16(12(10)17)8-4-7-14/h3,5-6H,4,7-8,14H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione?
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione is sourced from PubChem (CID 117263358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).