3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one

C23H21N3O3 — CID 4583709

IUPAC3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one
SMILESCCOc1ccc(OCc2ccc(-c3nc4ccccc4c(=O)n3N)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-2-28-18-11-13-19(14-12-18)29-15-16-7-9-17(10-8-16)22-25-21-6-4-3-5-20(21)23(27)26(22)24/h3-14H,2,15,24H2,1H3
InChIKeySUNCJFSTDCKREQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.76
Rot. Bonds6

About 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one

3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one (PubChem CID 4583709) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one
PubChem CID4583709
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one
SMILESCCOc1ccc(OCc2ccc(-c3nc4ccccc4c(=O)n3N)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-2-28-18-11-13-19(14-12-18)29-15-16-7-9-17(10-8-16)22-25-21-6-4-3-5-20(21)23(27)26(22)24/h3-14H,2,15,24H2,1H3
InChIKeySUNCJFSTDCKREQ-UHFFFAOYSA-N
XLogP3.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one (CID 4583709) is 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one is CCOc1ccc(OCc2ccc(-c3nc4ccccc4c(=O)n3N)cc2)cc1.
What is the InChIKey of 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one?
The InChIKey is SUNCJFSTDCKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-28-18-11-13-19(14-12-18)29-15-16-7-9-17(10-8-16)22-25-21-6-4-3-5-20(21)23(27)26(22)24/h3-14H,2,15,24H2,1H3.
What are the key properties of 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one?
3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one has a molecular weight of 387.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 4583709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).