4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C12H19N3O — CID 83849716

IUPAC4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(CCCN)c2C1
InChIInChI=1S/C12H19N3O/c1-8-4-5-11-9(7-8)10(3-2-6-13)14-12(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyVGRITGWRGVCKSM-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.79
Rot. Bonds3

About 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83849716) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83849716
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(CCCN)c2C1
InChIInChI=1S/C12H19N3O/c1-8-4-5-11-9(7-8)10(3-2-6-13)14-12(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyVGRITGWRGVCKSM-UHFFFAOYSA-N
XLogP0.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83849716) is 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC1CCc2[nH]c(=O)nc(CCCN)c2C1.
What is the InChIKey of 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is VGRITGWRGVCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-11-9(7-8)10(3-2-6-13)14-12(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83849716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).