2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C27H26ClN3O5 — CID 15989681

IUPAC2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc2c(=O)n(Cc3ccccc3Cl)c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC
InChIInChI=1S/C27H26ClN3O5/c1-16-9-10-19(11-17(16)2)29-25(32)15-30-22-13-24(36-4)23(35-3)12-20(22)26(33)31(27(30)34)14-18-7-5-6-8-21(18)28/h5-13H,14-15H2,1-4H3,(H,29,32)
InChIKeyGTHDLYXQECBXIV-UHFFFAOYSA-N
MW507.97 g/mol
LogP4.14
Rot. Bonds7

About 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 15989681) has the molecular formula C27H26ClN3O5 and a molecular weight of 507.97 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID15989681
Molecular FormulaC27H26ClN3O5
Molecular Weight507.97 g/mol
Exact Mass507.16
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc2c(=O)n(Cc3ccccc3Cl)c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC
InChIInChI=1S/C27H26ClN3O5/c1-16-9-10-19(11-17(16)2)29-25(32)15-30-22-13-24(36-4)23(35-3)12-20(22)26(33)31(27(30)34)14-18-7-5-6-8-21(18)28/h5-13H,14-15H2,1-4H3,(H,29,32)
InChIKeyGTHDLYXQECBXIV-UHFFFAOYSA-N
XLogP4.14
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.97
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10456471
3-[1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 16193993
6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718445
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6,7-dimethoxy-3-(4-methylphenyl)quinazoline-2,4(1H,3H)-dione
CID 3235657
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxyquinazoline-2,4(1H,3H)-dione
CID 3240040
N-[2-(2-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
CID 3574265
3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 4322106
N-[(2-chlorophenyl)methyl]-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CID 5069161
2-{3-[(2H-1,3-Benzodioxol-5-YL)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}-N-(3-chlorophenyl)acetamide
CID 15989328
2-[6,7-Dimethoxy-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazolin-1-YL]-N-phenylacetamide
CID 15989492
2-{3-[(2-Chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}-N-(3,5-dimethoxyphenyl)acetamide
CID 15989677
2-[3-(2-chlorobenzyl)-6,7-dimethoxy-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-(3-methoxypropyl)acetamide
CID 16187084

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 15989681) is 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide is COc1cc2c(=O)n(Cc3ccccc3Cl)c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is GTHDLYXQECBXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O5/c1-16-9-10-19(11-17(16)2)29-25(32)15-30-22-13-24(36-4)23(35-3)12-20(22)26(33)31(27(30)34)14-18-7-5-6-8-21(18)28/h5-13H,14-15H2,1-4H3,(H,29,32).
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 507.97 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 15989681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).