2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C27H28N4O5 — CID 56685539

IUPAC2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)nc(NCc3ccc(C)cc3)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C27H28N4O5/c1-17-9-11-18(12-10-17)15-28-26-20-7-5-6-8-21(20)31(27(33)30-26)16-24(32)29-19-13-22(34-2)25(36-4)23(14-19)35-3/h5-14H,15-16H2,1-4H3,(H,29,32)(H,28,30,33)
InChIKeyVDBDLWFMSFGVFX-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.98
Rot. Bonds9

About 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 56685539) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID56685539
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)nc(NCc3ccc(C)cc3)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C27H28N4O5/c1-17-9-11-18(12-10-17)15-28-26-20-7-5-6-8-21(20)31(27(33)30-26)16-24(32)29-19-13-22(34-2)25(36-4)23(14-19)35-3/h5-14H,15-16H2,1-4H3,(H,29,32)(H,28,30,33)
InChIKeyVDBDLWFMSFGVFX-UHFFFAOYSA-N
XLogP3.98
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 56685548
2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56685652
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56685509
2-[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)quinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 6621475
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
2-[4-(1,3-benzodioxol-5-ylmethylamino)-2-oxoquinazolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 56685641
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 50834654
2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53063800
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methylbutylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685587

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 56685539) is 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(=O)nc(NCc3ccc(C)cc3)c3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VDBDLWFMSFGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-17-9-11-18(12-10-17)15-28-26-20-7-5-6-8-21(20)31(27(33)30-26)16-24(32)29-19-13-22(34-2)25(36-4)23(14-19)35-3/h5-14H,15-16H2,1-4H3,(H,29,32)(H,28,30,33).
What are the key properties of 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 488.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 56685539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).