3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

C26H27N3O5 — CID 23761607

IUPAC3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
SMILESCCOc1ccccc1CNn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C26H27N3O5/c1-5-34-21-13-9-6-10-17(21)16-27-29-25(28-20-12-8-7-11-19(20)26(29)30)18-14-22(31-2)24(33-4)23(15-18)32-3/h6-15,27H,5,16H2,1-4H3
InChIKeyNVXXFICLWVGISZ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.23
Rot. Bonds9

About 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one (PubChem CID 23761607) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
PubChem CID23761607
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
SMILESCCOc1ccccc1CNn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C26H27N3O5/c1-5-34-21-13-9-6-10-17(21)16-27-29-25(28-20-12-8-7-11-19(20)26(29)30)18-14-22(31-2)24(33-4)23(15-18)32-3/h6-15,27H,5,16H2,1-4H3
InChIKeyNVXXFICLWVGISZ-UHFFFAOYSA-N
XLogP4.23
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one (CID 23761607) is 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one is CCOc1ccccc1CNn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The InChIKey is NVXXFICLWVGISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-5-34-21-13-9-6-10-17(21)16-27-29-25(28-20-12-8-7-11-19(20)26(29)30)18-14-22(31-2)24(33-4)23(15-18)32-3/h6-15,27H,5,16H2,1-4H3.
What are the key properties of 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one has a molecular weight of 461.52 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 23761607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).