3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one

C20H21N3O — CID 22484627

IUPAC3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCc1ccc2nc(/C=C/c3ccccc3)n(CCCN)c(=O)c2c1
InChIInChI=1S/C20H21N3O/c1-15-8-10-18-17(14-15)20(24)23(13-5-12-21)19(22-18)11-9-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,21H2,1H3/b11-9+
InChIKeyTVGRVUWDNKKPQY-PKNBQFBNSA-N
MW319.41 g/mol
LogP3.22
Rot. Bonds5

About 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one

3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one (PubChem CID 22484627) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
PubChem CID22484627
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCc1ccc2nc(/C=C/c3ccccc3)n(CCCN)c(=O)c2c1
InChIInChI=1S/C20H21N3O/c1-15-8-10-18-17(14-15)20(24)23(13-5-12-21)19(22-18)11-9-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,21H2,1H3/b11-9+
InChIKeyTVGRVUWDNKKPQY-PKNBQFBNSA-N
XLogP3.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[4-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-4-oxoquinazolin-3-yl]butyl]quinazolin-4-one
CID 138858437
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 2893509
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
CID 92919296
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-butylquinazolin-4-one
CID 118734930
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one (CID 22484627) is 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one is Cc1ccc2nc(/C=C/c3ccccc3)n(CCCN)c(=O)c2c1.
What is the InChIKey of 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The InChIKey is TVGRVUWDNKKPQY-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-8-10-18-17(14-15)20(24)23(13-5-12-21)19(22-18)11-9-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,21H2,1H3/b11-9+.
What are the key properties of 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one is sourced from PubChem (CID 22484627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).