8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one

C23H29N3O2 — CID 71468740

IUPAC8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one
SMILESO=C1c2cc(CN3CCCCC3)c3cccnc3c2CN1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C23H29N3O2/c27-21-9-3-2-8-20(21)26-15-19-18(23(26)28)13-16(14-25-11-4-1-5-12-25)17-7-6-10-24-22(17)19/h6-7,10,13,20-21,27H,1-5,8-9,11-12,14-15H2/t20-,21-/m0/s1
InChIKeyBJRJJZCHEQTRAE-SFTDATJTSA-N
MW379.50 g/mol
LogP3.48
Rot. Bonds3

About 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one

8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one (PubChem CID 71468740) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one.

Molecular Properties

Compound Name8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one
PubChem CID71468740
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one
SMILESO=C1c2cc(CN3CCCCC3)c3cccnc3c2CN1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C23H29N3O2/c27-21-9-3-2-8-20(21)26-15-19-18(23(26)28)13-16(14-25-11-4-1-5-12-25)17-7-6-10-24-22(17)19/h6-7,10,13,20-21,27H,1-5,8-9,11-12,14-15H2/t20-,21-/m0/s1
InChIKeyBJRJJZCHEQTRAE-SFTDATJTSA-N
XLogP3.48
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one with MolForge

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Related Compounds

5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468854
5-[(4,4-dimethylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468459
5-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-2-[(2S)-2-hydroxycyclohexyl]-1H-benzo[e]isoindol-3-one
CID 71468853
2-[(1S,2S)-2-hydroxycyclohexyl]-5-[(4-methylpiperidin-1-yl)methyl]-1H-benzo[e]isoindol-3-one
CID 71467423
2-(2-hydroxycyclohexyl)-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-benzo[e]isoindol-3-one
CID 71014493
2-[(1S,2S)-2-hydroxycyclohexyl]-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzo[e]isoindol-3-one
CID 71468337
ethane;2-[(2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzo[e]isoindol-3-one;2-[(3R)-3-hydroxyoxan-4-yl]-5-(piperidin-1-ylmethyl)-1H-benzo[e]isoindol-3-one
CID 162108266
5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-hydroxycyclohexyl)-1H-benzo[e]isoindol-3-one
CID 71469208
5-[(4,4-difluoropiperidin-1-yl)methyl]-8-[(1R,2S)-2-hydroxycyclohexyl]-9-methyl-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468599
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-[(6-cyclopropyl-3-pyridinyl)methyl]-8-[(1S,2S)-2-nitrosocyclohexyl]-9H-pyrrolo[3,4-h]quinolin-7-one
CID 87519914
5-[(6-ethenyl-3-pyridinyl)methyl]-2-[(2S)-2-hydroxycyclohexyl]-1H-benzo[e]isoindol-3-one
CID 176646643

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
The IUPAC name of 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one (CID 71468740) is 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one.
What is the SMILES notation for 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
The canonical SMILES for 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one is O=C1c2cc(CN3CCCCC3)c3cccnc3c2CN1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
The InChIKey is BJRJJZCHEQTRAE-SFTDATJTSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21-9-3-2-8-20(21)26-15-19-18(23(26)28)13-16(14-25-11-4-1-5-12-25)17-7-6-10-24-22(17)19/h6-7,10,13,20-21,27H,1-5,8-9,11-12,14-15H2/t20-,21-/m0/s1.
What are the key properties of 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one has a molecular weight of 379.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one is sourced from PubChem (CID 71468740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).