2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one

C24H29N3O2 — CID 46338440

IUPAC2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one
SMILESCC1CCCN(C(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)C1
InChIInChI=1S/C24H29N3O2/c1-16-8-7-13-26(14-16)23(28)21-18-11-5-6-12-20(18)25-22-19(21)15-27(24(22)29)17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3
InChIKeyGYRUWPBUEMZXDQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.40
Rot. Bonds2

About 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one

2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one (PubChem CID 46338440) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one
PubChem CID46338440
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one
SMILESCC1CCCN(C(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)C1
InChIInChI=1S/C24H29N3O2/c1-16-8-7-13-26(14-16)23(28)21-18-11-5-6-12-20(18)25-22-19(21)15-27(24(22)29)17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3
InChIKeyGYRUWPBUEMZXDQ-UHFFFAOYSA-N
XLogP4.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
The IUPAC name of 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one (CID 46338440) is 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one.
What is the SMILES notation for 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
The canonical SMILES for 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one is CC1CCCN(C(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)C1.
What is the InChIKey of 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
The InChIKey is GYRUWPBUEMZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-8-7-13-26(14-16)23(28)21-18-11-5-6-12-20(18)25-22-19(21)15-27(24(22)29)17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3.
What are the key properties of 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one has a molecular weight of 391.52 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one is sourced from PubChem (CID 46338440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).