[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate

C29H23N3O3 — CID 161446124

IUPAC[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate
SMILESCOc1cc(-c2ccc3ncnc(Nc4ccccc4)c3c2)ccc1OC(=O)Cc1ccccc1
InChIInChI=1S/C29H23N3O3/c1-34-27-18-22(13-15-26(27)35-28(33)16-20-8-4-2-5-9-20)21-12-14-25-24(17-21)29(31-19-30-25)32-23-10-6-3-7-11-23/h2-15,17-19H,16H2,1H3,(H,30,31,32)
InChIKeyVZXIZRQPTBKIRH-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.20
Rot. Bonds7

About [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate

[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate (PubChem CID 161446124) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate.

Molecular Properties

Compound Name[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate
PubChem CID161446124
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate
SMILESCOc1cc(-c2ccc3ncnc(Nc4ccccc4)c3c2)ccc1OC(=O)Cc1ccccc1
InChIInChI=1S/C29H23N3O3/c1-34-27-18-22(13-15-26(27)35-28(33)16-20-8-4-2-5-9-20)21-12-14-25-24(17-21)29(31-19-30-25)32-23-10-6-3-7-11-23/h2-15,17-19H,16H2,1H3,(H,30,31,32)
InChIKeyVZXIZRQPTBKIRH-UHFFFAOYSA-N
XLogP6.20
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate with MolForge

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Related Compounds

6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3235342
N,6-diphenylquinazolin-4-amine
CID 86766666
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
CID 133443561
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
N-[[3-(4-anilinoquinazolin-6-yl)phenyl]methyl]-2-pyridin-2-ylpentanamide
CID 90880166
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
1-[4-[[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino]phenyl]-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
CID 23725403
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate?
The IUPAC name of [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate (CID 161446124) is [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate.
What is the SMILES notation for [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate?
The canonical SMILES for [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate is COc1cc(-c2ccc3ncnc(Nc4ccccc4)c3c2)ccc1OC(=O)Cc1ccccc1.
What is the InChIKey of [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate?
The InChIKey is VZXIZRQPTBKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-34-27-18-22(13-15-26(27)35-28(33)16-20-8-4-2-5-9-20)21-12-14-25-24(17-21)29(31-19-30-25)32-23-10-6-3-7-11-23/h2-15,17-19H,16H2,1H3,(H,30,31,32).
What are the key properties of [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate?
[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate has a molecular weight of 461.52 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate is sourced from PubChem (CID 161446124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).