3-[2-(propylamino)ethyl]quinazolin-4-one

C13H17N3O — CID 54589512

IUPAC3-[2-(propylamino)ethyl]quinazolin-4-one
SMILESCCCNCCn1cnc2ccccc2c1=O
InChIInChI=1S/C13H17N3O/c1-2-7-14-8-9-16-10-15-12-6-4-3-5-11(12)13(16)17/h3-6,10,14H,2,7-9H2,1H3
InChIKeyOOHQPCHLVVMOIL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.40
Rot. Bonds5

About 3-[2-(propylamino)ethyl]quinazolin-4-one

3-[2-(propylamino)ethyl]quinazolin-4-one (PubChem CID 54589512) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(propylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(propylamino)ethyl]quinazolin-4-one
PubChem CID54589512
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[2-(propylamino)ethyl]quinazolin-4-one
SMILESCCCNCCn1cnc2ccccc2c1=O
InChIInChI=1S/C13H17N3O/c1-2-7-14-8-9-16-10-15-12-6-4-3-5-11(12)13(16)17/h3-6,10,14H,2,7-9H2,1H3
InChIKeyOOHQPCHLVVMOIL-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-propylquinazolin-4-one
CID 529124
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one
CID 103071897
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
CID 21150141
3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
CID 110185060

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(propylamino)ethyl]quinazolin-4-one (CID 54589512) is 3-[2-(propylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(propylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(propylamino)ethyl]quinazolin-4-one is CCCNCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(propylamino)ethyl]quinazolin-4-one?
The InChIKey is OOHQPCHLVVMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-7-14-8-9-16-10-15-12-6-4-3-5-11(12)13(16)17/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 3-[2-(propylamino)ethyl]quinazolin-4-one?
3-[2-(propylamino)ethyl]quinazolin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 54589512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).