6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide

C29H28N4O4 — CID 121293913

IUPAC6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCOCCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O
InChIInChI=1S/C29H28N4O4/c1-16-18(3)32-27-25(16)21(14-24(26(27)28(30)34)37-13-12-36-4)19-9-7-11-23(17(19)2)33-15-31-22-10-6-5-8-20(22)29(33)35/h5-11,14-15,32H,12-13H2,1-4H3,(H2,30,34)
InChIKeyHYDHELPZQHERQH-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.58
Rot. Bonds7

About 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide

6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (PubChem CID 121293913) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
PubChem CID121293913
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCOCCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O
InChIInChI=1S/C29H28N4O4/c1-16-18(3)32-27-25(16)21(14-24(26(27)28(30)34)37-13-12-36-4)19-9-7-11-23(17(19)2)33-15-31-22-10-6-5-8-20(22)29(33)35/h5-11,14-15,32H,12-13H2,1-4H3,(H2,30,34)
InChIKeyHYDHELPZQHERQH-UHFFFAOYSA-N
XLogP4.58
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (CID 121293913) is 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is COCCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O.
What is the InChIKey of 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is HYDHELPZQHERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-16-18(3)32-27-25(16)21(14-24(26(27)28(30)34)37-13-12-36-4)19-9-7-11-23(17(19)2)33-15-31-22-10-6-5-8-20(22)29(33)35/h5-11,14-15,32H,12-13H2,1-4H3,(H2,30,34).
What are the key properties of 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).