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

C28H26N4O3 — CID 121293787

IUPAC6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O
InChIInChI=1S/C28H26N4O3/c1-5-35-23-13-20(24-15(2)17(4)31-26(24)25(23)27(29)33)18-10-8-12-22(16(18)3)32-14-30-21-11-7-6-9-19(21)28(32)34/h6-14,31H,5H2,1-4H3,(H2,29,33)
InChIKeyNQDLZBYIRSABDN-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.96
Rot. Bonds5

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

6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (PubChem CID 121293787) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
PubChem CID121293787
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O
InChIInChI=1S/C28H26N4O3/c1-5-35-23-13-20(24-15(2)17(4)31-26(24)25(23)27(29)33)18-10-8-12-22(16(18)3)32-14-30-21-11-7-6-9-19(21)28(32)34/h6-14,31H,5H2,1-4H3,(H2,29,33)
InChIKeyNQDLZBYIRSABDN-UHFFFAOYSA-N
XLogP4.96
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (CID 121293787) is 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is CCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O.
What is the InChIKey of 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is NQDLZBYIRSABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-5-35-23-13-20(24-15(2)17(4)31-26(24)25(23)27(29)33)18-10-8-12-22(16(18)3)32-14-30-21-11-7-6-9-19(21)28(32)34/h6-14,31H,5H2,1-4H3,(H2,29,33).
What are the key properties of 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).