3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

C17H17N3O4 — CID 777426

IUPAC3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2N)cc(OC)c1OC
InChIInChI=1S/C17H17N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-19-12-7-5-4-6-11(12)17(21)20(16)18/h4-9H,18H2,1-3H3
InChIKeyRKYBKQZTIXJELW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.80
Rot. Bonds4

About 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one (PubChem CID 777426) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
PubChem CID777426
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2N)cc(OC)c1OC
InChIInChI=1S/C17H17N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-19-12-7-5-4-6-11(12)17(21)20(16)18/h4-9H,18H2,1-3H3
InChIKeyRKYBKQZTIXJELW-UHFFFAOYSA-N
XLogP1.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
3-[(4-tert-butylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 15996903
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 23761607
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
CID 15996905
3-[[4-(difluoromethoxy)phenyl]methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615142
3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615114
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 7076654
2-chloro-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pyridine-3-carboxamide
CID 6737770

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one (CID 777426) is 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)n2N)cc(OC)c1OC.
What is the InChIKey of 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The InChIKey is RKYBKQZTIXJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-19-12-7-5-4-6-11(12)17(21)20(16)18/h4-9H,18H2,1-3H3.
What are the key properties of 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one has a molecular weight of 327.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 777426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).