3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one

C15H19N3O — CID 103071897

IUPAC3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one
SMILESC=C(CNCCC)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C15H19N3O/c1-3-8-16-9-12(2)10-18-11-17-14-7-5-4-6-13(14)15(18)19/h4-7,11,16H,2-3,8-10H2,1H3
InChIKeyRQHAGVCITHJUIE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds6

About 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one

3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one (PubChem CID 103071897) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one
PubChem CID103071897
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one
SMILESC=C(CNCCC)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C15H19N3O/c1-3-8-16-9-12(2)10-18-11-17-14-7-5-4-6-13(14)15(18)19/h4-7,11,16H,2-3,8-10H2,1H3
InChIKeyRQHAGVCITHJUIE-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
3-propylquinazolin-4-one
CID 529124
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-[2-(ethylaminomethyl)prop-2-enyl]isoquinolin-1-one
CID 103072839
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one?
The IUPAC name of 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one (CID 103071897) is 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one is C=C(CNCCC)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one?
The InChIKey is RQHAGVCITHJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-8-16-9-12(2)10-18-11-17-14-7-5-4-6-13(14)15(18)19/h4-7,11,16H,2-3,8-10H2,1H3.
What are the key properties of 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one?
3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one is sourced from PubChem (CID 103071897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).