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

C11H17N3O — CID 83848480

IUPAC4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(CCN)c2C1
InChIInChI=1S/C11H17N3O/c1-7-2-3-9-8(6-7)10(4-5-12)14-11(15)13-9/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyQJEMOECGRMOJEI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.40
Rot. Bonds2

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

4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83848480) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83848480
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(CCN)c2C1
InChIInChI=1S/C11H17N3O/c1-7-2-3-9-8(6-7)10(4-5-12)14-11(15)13-9/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyQJEMOECGRMOJEI-UHFFFAOYSA-N
XLogP0.40
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83848480) is 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC1CCc2[nH]c(=O)nc(CCN)c2C1.
What is the InChIKey of 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is QJEMOECGRMOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-2-3-9-8(6-7)10(4-5-12)14-11(15)13-9/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83848480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).