5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one

C26H33N3O2 — CID 71468854

IUPAC5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one
SMILESO=C1c2cc(CN3CCC(C4CC4)CC3)c3cccnc3c2CN1C1CCCCC1O
InChIInChI=1S/C26H33N3O2/c30-24-6-2-1-5-23(24)29-16-22-21(26(29)31)14-19(20-4-3-11-27-25(20)22)15-28-12-9-18(10-13-28)17-7-8-17/h3-4,11,14,17-18,23-24,30H,1-2,5-10,12-13,15-16H2
InChIKeyRZHIVJBZDFZTJW-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.12
Rot. Bonds4

About 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one

5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one (PubChem CID 71468854) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one.

Molecular Properties

Compound Name5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one
PubChem CID71468854
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one
SMILESO=C1c2cc(CN3CCC(C4CC4)CC3)c3cccnc3c2CN1C1CCCCC1O
InChIInChI=1S/C26H33N3O2/c30-24-6-2-1-5-23(24)29-16-22-21(26(29)31)14-19(20-4-3-11-27-25(20)22)15-28-12-9-18(10-13-28)17-7-8-17/h3-4,11,14,17-18,23-24,30H,1-2,5-10,12-13,15-16H2
InChIKeyRZHIVJBZDFZTJW-UHFFFAOYSA-N
XLogP4.12
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one with MolForge

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Related Compounds

8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468740
5-[(4,4-dimethylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468459
2-[(1S,2S)-2-hydroxycyclohexyl]-5-[(4-methylpiperidin-1-yl)methyl]-1H-benzo[e]isoindol-3-one
CID 71467423
5-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-2-[(2S)-2-hydroxycyclohexyl]-1H-benzo[e]isoindol-3-one
CID 71468853
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
5-[(4,4-difluoropiperidin-1-yl)methyl]-8-[(1R,2S)-2-hydroxycyclohexyl]-9-methyl-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468599
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
5,7-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 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
The IUPAC name of 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one (CID 71468854) is 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one.
What is the SMILES notation for 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
The canonical SMILES for 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one is O=C1c2cc(CN3CCC(C4CC4)CC3)c3cccnc3c2CN1C1CCCCC1O.
What is the InChIKey of 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
The InChIKey is RZHIVJBZDFZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-24-6-2-1-5-23(24)29-16-22-21(26(29)31)14-19(20-4-3-11-27-25(20)22)15-28-12-9-18(10-13-28)17-7-8-17/h3-4,11,14,17-18,23-24,30H,1-2,5-10,12-13,15-16H2.
What are the key properties of 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one?
5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one has a molecular weight of 419.57 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropylpiperidin-1-yl)methyl]-8-(2-hydroxycyclohexyl)-9H-pyrrolo[3,4-h]quinolin-7-one is sourced from PubChem (CID 71468854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).