3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one

C25H25N3O3 — CID 22484567

IUPAC3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
SMILESCOc1ccc(-c2ccc(-c3nc4ccccc4c(=O)n3CCCN)cc2)c(OC)c1
InChIInChI=1S/C25H25N3O3/c1-30-19-12-13-20(23(16-19)31-2)17-8-10-18(11-9-17)24-27-22-7-4-3-6-21(22)25(29)28(24)15-5-14-26/h3-4,6-13,16H,5,14-15,26H2,1-2H3
InChIKeyZKIFOGTUOQKDCV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.10
Rot. Bonds7

About 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one

3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one (PubChem CID 22484567) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
PubChem CID22484567
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
SMILESCOc1ccc(-c2ccc(-c3nc4ccccc4c(=O)n3CCCN)cc2)c(OC)c1
InChIInChI=1S/C25H25N3O3/c1-30-19-12-13-20(23(16-19)31-2)17-8-10-18(11-9-17)24-27-22-7-4-3-6-21(22)25(29)28(24)15-5-14-26/h3-4,6-13,16H,5,14-15,26H2,1-2H3
InChIKeyZKIFOGTUOQKDCV-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one (CID 22484567) is 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one is COc1ccc(-c2ccc(-c3nc4ccccc4c(=O)n3CCCN)cc2)c(OC)c1.
What is the InChIKey of 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one?
The InChIKey is ZKIFOGTUOQKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-30-19-12-13-20(23(16-19)31-2)17-8-10-18(11-9-17)24-27-22-7-4-3-6-21(22)25(29)28(24)15-5-14-26/h3-4,6-13,16H,5,14-15,26H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one?
3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one has a molecular weight of 415.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 22484567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).