3-(5-aminopentyl)quinazolin-4-one

C13H17N3O — CID 54965918

IUPAC3-(5-aminopentyl)quinazolin-4-one
SMILESNCCCCCn1cnc2ccccc2c1=O
InChIInChI=1S/C13H17N3O/c14-8-4-1-5-9-16-10-15-12-7-3-2-6-11(12)13(16)17/h2-3,6-7,10H,1,4-5,8-9,14H2
InChIKeyBTVBKZXNRZFIPJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.53
Rot. Bonds5

About 3-(5-aminopentyl)quinazolin-4-one

3-(5-aminopentyl)quinazolin-4-one (PubChem CID 54965918) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(5-aminopentyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(5-aminopentyl)quinazolin-4-one
PubChem CID54965918
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(5-aminopentyl)quinazolin-4-one
SMILESNCCCCCn1cnc2ccccc2c1=O
InChIInChI=1S/C13H17N3O/c14-8-4-1-5-9-16-10-15-12-7-3-2-6-11(12)13(16)17/h2-3,6-7,10H,1,4-5,8-9,14H2
InChIKeyBTVBKZXNRZFIPJ-UHFFFAOYSA-N
XLogP1.53
TPSA60.91 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 ≤ 51.53
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-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
CID 47066485
1-(4-aminobutyl)quinazolin-4-one
CID 82512666
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate
CID 4905503
3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
CID 30338758

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopentyl)quinazolin-4-one?
The IUPAC name of 3-(5-aminopentyl)quinazolin-4-one (CID 54965918) is 3-(5-aminopentyl)quinazolin-4-one.
What is the SMILES notation for 3-(5-aminopentyl)quinazolin-4-one?
The canonical SMILES for 3-(5-aminopentyl)quinazolin-4-one is NCCCCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-(5-aminopentyl)quinazolin-4-one?
The InChIKey is BTVBKZXNRZFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-8-4-1-5-9-16-10-15-12-7-3-2-6-11(12)13(16)17/h2-3,6-7,10H,1,4-5,8-9,14H2.
What are the key properties of 3-(5-aminopentyl)quinazolin-4-one?
3-(5-aminopentyl)quinazolin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopentyl)quinazolin-4-one is sourced from PubChem (CID 54965918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).