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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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).