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

C27H24N4O3 — CID 121293865

IUPAC6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O
InChIInChI=1S/C27H24N4O3/c1-14-16(3)30-25-23(14)19(12-22(34-4)24(25)26(28)32)17-9-7-11-21(15(17)2)31-13-29-20-10-6-5-8-18(20)27(31)33/h5-13,30H,1-4H3,(H2,28,32)
InChIKeyBKGOLYINPPWQPL-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.57
Rot. Bonds4

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

6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (PubChem CID 121293865) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
PubChem CID121293865
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCOc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O
InChIInChI=1S/C27H24N4O3/c1-14-16(3)30-25-23(14)19(12-22(34-4)24(25)26(28)32)17-9-7-11-21(15(17)2)31-13-29-20-10-6-5-8-18(20)27(31)33/h5-13,30H,1-4H3,(H2,28,32)
InChIKeyBKGOLYINPPWQPL-UHFFFAOYSA-N
XLogP4.57
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (CID 121293865) is 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is COc1cc(-c2cccc(-n3cnc4ccccc4c3=O)c2C)c2c(C)c(C)[nH]c2c1C(N)=O.
What is the InChIKey of 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is BKGOLYINPPWQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-14-16(3)30-25-23(14)19(12-22(34-4)24(25)26(28)32)17-9-7-11-21(15(17)2)31-13-29-20-10-6-5-8-18(20)27(31)33/h5-13,30H,1-4H3,(H2,28,32).
What are the key properties of 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).