3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one

C15H21N3O — CID 3026522

IUPAC3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
SMILESCCC(CC)NCCn1cnc2ccccc2c1=O
InChIInChI=1S/C15H21N3O/c1-3-12(4-2)16-9-10-18-11-17-14-8-6-5-7-13(14)15(18)19/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyQOBFDYXRZYBKOB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds6

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

3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one (PubChem CID 3026522) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
PubChem CID3026522
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
SMILESCCC(CC)NCCn1cnc2ccccc2c1=O
InChIInChI=1S/C15H21N3O/c1-3-12(4-2)16-9-10-18-11-17-14-8-6-5-7-13(14)15(18)19/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyQOBFDYXRZYBKOB-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-propylquinazolin-4-one
CID 529124
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
CID 107506094
3-[2-(bromomethyl)butyl]quinazolin-4-one
CID 64995247

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one (CID 3026522) is 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one is CCC(CC)NCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one?
The InChIKey is QOBFDYXRZYBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-12(4-2)16-9-10-18-11-17-14-8-6-5-7-13(14)15(18)19/h5-8,11-12,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one?
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 3026522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).