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

C33H28N4O3 — CID 121294012

IUPAC2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)c(OCc3ccccc3)cc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c2c1C
InChIInChI=1S/C33H28N4O3/c1-19-21(3)36-31-29(19)25(16-28(30(31)32(34)38)40-17-22-10-5-4-6-11-22)23-13-9-15-27(20(23)2)37-18-35-26-14-8-7-12-24(26)33(37)39/h4-16,18,36H,17H2,1-3H3,(H2,34,38)
InChIKeyXZFONNCYUMIRGO-UHFFFAOYSA-N
MW528.61 g/mol
LogP6.14
Rot. Bonds6

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

2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide (PubChem CID 121294012) has the molecular formula C33H28N4O3 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide
PubChem CID121294012
Molecular FormulaC33H28N4O3
Molecular Weight528.61 g/mol
Exact Mass528.22
IUPAC Name2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)c(OCc3ccccc3)cc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c2c1C
InChIInChI=1S/C33H28N4O3/c1-19-21(3)36-31-29(19)25(16-28(30(31)32(34)38)40-17-22-10-5-4-6-11-22)23-13-9-15-27(20(23)2)37-18-35-26-14-8-7-12-24(26)33(37)39/h4-16,18,36H,17H2,1-3H3,(H2,34,38)
InChIKeyXZFONNCYUMIRGO-UHFFFAOYSA-N
XLogP6.14
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide (CID 121294012) is 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide is Cc1[nH]c2c(C(N)=O)c(OCc3ccccc3)cc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c2c1C.
What is the InChIKey of 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide?
The InChIKey is XZFONNCYUMIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O3/c1-19-21(3)36-31-29(19)25(16-28(30(31)32(34)38)40-17-22-10-5-4-6-11-22)23-13-9-15-27(20(23)2)37-18-35-26-14-8-7-12-24(26)33(37)39/h4-16,18,36H,17H2,1-3H3,(H2,34,38).
What are the key properties of 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide?
2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-6-phenylmethoxy-1H-indole-7-carboxamide is sourced from PubChem (CID 121294012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).