2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

C25H19N3O2 — CID 16736386

IUPAC2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESCOc1ccc(-c2ccc3cc4c(cc3n2)CC2(C4)C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C25H19N3O2/c1-30-19-7-4-15(5-8-19)21-9-6-16-11-17-13-25(14-18(17)12-22(16)27-21)20-3-2-10-26-23(20)28-24(25)29/h2-12H,13-14H2,1H3,(H,26,28,29)
InChIKeyNUJYGDBRWYEDLQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.29
Rot. Bonds2

About 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (PubChem CID 16736386) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.

Molecular Properties

Compound Name2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
PubChem CID16736386
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESCOc1ccc(-c2ccc3cc4c(cc3n2)CC2(C4)C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C25H19N3O2/c1-30-19-7-4-15(5-8-19)21-9-6-16-11-17-13-25(14-18(17)12-22(16)27-21)20-3-2-10-26-23(20)28-24(25)29/h2-12H,13-14H2,1H3,(H,26,28,29)
InChIKeyNUJYGDBRWYEDLQ-UHFFFAOYSA-N
XLogP4.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10339071
CID 10339071
CID 86766520
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CID 153592
CID 153592
CID 25328995
CID 25328995
CID 86766519
CID 86766519
CID 25020605
CID 25020605
CID 25100606
CID 25100606
CID 57977639
CID 57977639
CID 58171677
CID 58171677
CID 58171707
CID 58171707
CID 58171722
CID 58171722
CID 67956925
CID 67956925

Frequently Asked Questions

What is the IUPAC name of 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The IUPAC name of 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (CID 16736386) is 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.
What is the SMILES notation for 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The canonical SMILES for 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is COc1ccc(-c2ccc3cc4c(cc3n2)CC2(C4)C(=O)Nc3ncccc32)cc1.
What is the InChIKey of 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The InChIKey is NUJYGDBRWYEDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-30-19-7-4-15(5-8-19)21-9-6-16-11-17-13-25(14-18(17)12-22(16)27-21)20-3-2-10-26-23(20)28-24(25)29/h2-12H,13-14H2,1H3,(H,26,28,29).
What are the key properties of 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one has a molecular weight of 393.45 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is sourced from PubChem (CID 16736386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).