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

C12H15N3O3 — CID 117263372

IUPAC3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1cccc2c(=O)n(CCCN)c(=O)[nH]c12
InChIInChI=1S/C12H15N3O3/c1-18-9-5-2-4-8-10(9)14-12(17)15(11(8)16)7-3-6-13/h2,4-5H,3,6-7,13H2,1H3,(H,14,17)
InChIKeyDTXVMGPOMFCCBX-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.05
Rot. Bonds4

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

3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione (PubChem CID 117263372) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
PubChem CID117263372
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1cccc2c(=O)n(CCCN)c(=O)[nH]c12
InChIInChI=1S/C12H15N3O3/c1-18-9-5-2-4-8-10(9)14-12(17)15(11(8)16)7-3-6-13/h2,4-5H,3,6-7,13H2,1H3,(H,14,17)
InChIKeyDTXVMGPOMFCCBX-UHFFFAOYSA-N
XLogP0.05
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione
CID 117263361
3-(3-aminopropyl)-8-bromo-1H-quinazoline-2,4-dione
CID 117263362
3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
8-methoxy-3-(2-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261966
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261970
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione (CID 117263372) is 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione is COc1cccc2c(=O)n(CCCN)c(=O)[nH]c12.
What is the InChIKey of 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is DTXVMGPOMFCCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-9-5-2-4-8-10(9)14-12(17)15(11(8)16)7-3-6-13/h2,4-5H,3,6-7,13H2,1H3,(H,14,17).
What are the key properties of 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione?
3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117263372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).