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

C14H19N3O — CID 62562678

IUPAC3-[2-(butylamino)ethyl]quinazolin-4-one
SMILESCCCCNCCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H19N3O/c1-2-3-8-15-9-10-17-11-16-13-7-5-4-6-12(13)14(17)18/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyYKHIUDRPNHMSCY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds6

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

3-[2-(butylamino)ethyl]quinazolin-4-one (PubChem CID 62562678) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[2-(butylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(butylamino)ethyl]quinazolin-4-one
PubChem CID62562678
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[2-(butylamino)ethyl]quinazolin-4-one
SMILESCCCCNCCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H19N3O/c1-2-3-8-15-9-10-17-11-16-13-7-5-4-6-12(13)14(17)18/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyYKHIUDRPNHMSCY-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(butylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(butylamino)ethyl]quinazolin-4-one (CID 62562678) is 3-[2-(butylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(butylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(butylamino)ethyl]quinazolin-4-one is CCCCNCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(butylamino)ethyl]quinazolin-4-one?
The InChIKey is YKHIUDRPNHMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-8-15-9-10-17-11-16-13-7-5-4-6-12(13)14(17)18/h4-7,11,15H,2-3,8-10H2,1H3.
What are the key properties of 3-[2-(butylamino)ethyl]quinazolin-4-one?
3-[2-(butylamino)ethyl]quinazolin-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(butylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 62562678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).