7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide

C32H28N4O4 — CID 147214560

IUPAC7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide
SMILESCOCCOc1ccc2c(c1)Cc1c(C(N)=O)nc(C)c(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2
InChIInChI=1S/C32H28N4O4/c1-18-22(8-6-10-27(18)36-17-34-26-9-5-4-7-24(26)32(36)38)28-19(2)35-30(31(33)37)25-16-20-15-21(40-14-13-39-3)11-12-23(20)29(25)28/h4-12,15,17H,13-14,16H2,1-3H3,(H2,33,37)
InChIKeyCFVZLTWLKBOADI-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.76
Rot. Bonds7

About 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide

7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide (PubChem CID 147214560) has the molecular formula C32H28N4O4 and a molecular weight of 532.60 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide
PubChem CID147214560
Molecular FormulaC32H28N4O4
Molecular Weight532.60 g/mol
Exact Mass532.21
IUPAC Name7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide
SMILESCOCCOc1ccc2c(c1)Cc1c(C(N)=O)nc(C)c(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2
InChIInChI=1S/C32H28N4O4/c1-18-22(8-6-10-27(18)36-17-34-26-9-5-4-7-24(26)32(36)38)28-19(2)35-30(31(33)37)25-16-20-15-21(40-14-13-39-3)11-12-23(20)29(25)28/h4-12,15,17H,13-14,16H2,1-3H3,(H2,33,37)
InChIKeyCFVZLTWLKBOADI-UHFFFAOYSA-N
XLogP4.76
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
CID 159956886
methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate
CID 158008597
7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide
CID 146914587
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
CID 86763132
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293780
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-benzimidazole-4-carboxamide
CID 163411671
2-[(E)-1-[2-hydroxyethyl-(methylideneamino)amino]prop-1-en-2-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
CID 139501178
ethyl 3-[4-[7-carbamoyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indol-2-yl]cyclohept-4-en-1-yl]propanoate
CID 123553899
3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
CID 70652011
4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293994
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
CID 171457679
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-3H-benzimidazole-4-carbonitrile;7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-benzimidazole-4-carboxamide
CID 157100775

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide?
The IUPAC name of 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide (CID 147214560) is 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide.
What is the SMILES notation for 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide?
The canonical SMILES for 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide is COCCOc1ccc2c(c1)Cc1c(C(N)=O)nc(C)c(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2.
What is the InChIKey of 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide?
The InChIKey is CFVZLTWLKBOADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O4/c1-18-22(8-6-10-27(18)36-17-34-26-9-5-4-7-24(26)32(36)38)28-19(2)35-30(31(33)37)25-16-20-15-21(40-14-13-39-3)11-12-23(20)29(25)28/h4-12,15,17H,13-14,16H2,1-3H3,(H2,33,37).
What are the key properties of 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide?
7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide is sourced from PubChem (CID 147214560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).