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

C26H22N4O2 — CID 16736206

IUPAC2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNCc4cccc(O)c4)nc3cc1C2
InChIInChI=1S/C26H22N4O2/c31-21-4-1-3-16(9-21)14-27-15-20-7-6-17-10-18-12-26(13-19(18)11-23(17)29-20)22-5-2-8-28-24(22)30-25(26)32/h1-11,27,31H,12-15H2,(H,28,30,32)
InChIKeyAICVRTCVDHUEEP-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.61
Rot. Bonds4

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

2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (PubChem CID 16736206) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.

Molecular Properties

Compound Name2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
PubChem CID16736206
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNCc4cccc(O)c4)nc3cc1C2
InChIInChI=1S/C26H22N4O2/c31-21-4-1-3-16(9-21)14-27-15-20-7-6-17-10-18-12-26(13-19(18)11-23(17)29-20)22-5-2-8-28-24(22)30-25(26)32/h1-11,27,31H,12-15H2,(H,28,30,32)
InChIKeyAICVRTCVDHUEEP-UHFFFAOYSA-N
XLogP3.61
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The IUPAC name of 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (CID 16736206) is 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.
What is the SMILES notation for 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The canonical SMILES for 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is O=C1Nc2ncccc2C12Cc1cc3ccc(CNCc4cccc(O)c4)nc3cc1C2.
What is the InChIKey of 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The InChIKey is AICVRTCVDHUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-21-4-1-3-16(9-21)14-27-15-20-7-6-17-10-18-12-26(13-19(18)11-23(17)29-20)22-5-2-8-28-24(22)30-25(26)32/h1-11,27,31H,12-15H2,(H,28,30,32).
What are the key properties of 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one has a molecular weight of 422.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[[(3-hydroxyphenyl)methylamino]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is sourced from PubChem (CID 16736206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).