2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide

C22H22N4O4 — CID 71827105

IUPAC2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide
SMILESCOc1cc2nc(C)n(CC(=O)Nc3cccc4c3ccn4C)c(=O)c2cc1OC
InChIInChI=1S/C22H22N4O4/c1-13-23-17-11-20(30-4)19(29-3)10-15(17)22(28)26(13)12-21(27)24-16-6-5-7-18-14(16)8-9-25(18)2/h5-11H,12H2,1-4H3,(H,24,27)
InChIKeyRNTGRBBNVLSWQF-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.85
Rot. Bonds5

About 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide (PubChem CID 71827105) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide
PubChem CID71827105
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide
SMILESCOc1cc2nc(C)n(CC(=O)Nc3cccc4c3ccn4C)c(=O)c2cc1OC
InChIInChI=1S/C22H22N4O4/c1-13-23-17-11-20(30-4)19(29-3)10-15(17)22(28)26(13)12-21(27)24-16-6-5-7-18-14(16)8-9-25(18)2/h5-11H,12H2,1-4H3,(H,24,27)
InChIKeyRNTGRBBNVLSWQF-UHFFFAOYSA-N
XLogP2.85
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 71827803
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 110206981
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 71692285
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328
N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52899779
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905120
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410069
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575508
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 53086688

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide?
The IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide (CID 71827105) is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide is COc1cc2nc(C)n(CC(=O)Nc3cccc4c3ccn4C)c(=O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide?
The InChIKey is RNTGRBBNVLSWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-23-17-11-20(30-4)19(29-3)10-15(17)22(28)26(13)12-21(27)24-16-6-5-7-18-14(16)8-9-25(18)2/h5-11H,12H2,1-4H3,(H,24,27).
What are the key properties of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide?
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide is sourced from PubChem (CID 71827105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).