2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C28H30N4O4 — CID 56685652

IUPAC2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(CNc2nc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)cc1OC
InChIInChI=1S/C28H30N4O4/c1-18(2)20-10-12-21(13-11-20)30-26(33)17-32-23-8-6-5-7-22(23)27(31-28(32)34)29-16-19-9-14-24(35-3)25(15-19)36-4/h5-15,18H,16-17H2,1-4H3,(H,30,33)(H,29,31,34)
InChIKeyFHCWXLCMEOGMOF-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.79
Rot. Bonds9

About 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 56685652) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID56685652
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(CNc2nc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)cc1OC
InChIInChI=1S/C28H30N4O4/c1-18(2)20-10-12-21(13-11-20)30-26(33)17-32-23-8-6-5-7-22(23)27(31-28(32)34)29-16-19-9-14-24(35-3)25(15-19)36-4/h5-15,18H,16-17H2,1-4H3,(H,30,33)(H,29,31,34)
InChIKeyFHCWXLCMEOGMOF-UHFFFAOYSA-N
XLogP4.79
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56685539
2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 56685548
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109003078
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56685509
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 16538608
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methylbutylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685587
2-[4-(1,3-benzodioxol-5-ylmethylamino)-2-oxoquinazolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 56685641
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 51046705
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 56685652) is 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(CNc2nc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)cc1OC.
What is the InChIKey of 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FHCWXLCMEOGMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-18(2)20-10-12-21(13-11-20)30-26(33)17-32-23-8-6-5-7-22(23)27(31-28(32)34)29-16-19-9-14-24(35-3)25(15-19)36-4/h5-15,18H,16-17H2,1-4H3,(H,30,33)(H,29,31,34).
What are the key properties of 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 486.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 56685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).