4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C11H17N3O — CID 83858997

IUPAC4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(CN)c1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C11H17N3O/c1-7(6-12)10-8-4-2-3-5-9(8)13-11(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyFQQGPAISMQQGPL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.71
Rot. Bonds2

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

4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83858997) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83858997
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(CN)c1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C11H17N3O/c1-7(6-12)10-8-4-2-3-5-9(8)13-11(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyFQQGPAISMQQGPL-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83858997) is 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC(CN)c1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is FQQGPAISMQQGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(6-12)10-8-4-2-3-5-9(8)13-11(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83858997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).