2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

C22H30N4O2 — CID 102557367

IUPAC2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
SMILESCC1CCCC(OC(C)C(=O)Nc2nc3ccccc3nc2N2CCCC2)C1
InChIInChI=1S/C22H30N4O2/c1-15-8-7-9-17(14-15)28-16(2)22(27)25-20-21(26-12-5-6-13-26)24-19-11-4-3-10-18(19)23-20/h3-4,10-11,15-17H,5-9,12-14H2,1-2H3,(H,23,25,27)
InChIKeyKLQPOVWILUKEEI-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.15
Rot. Bonds5

About 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (PubChem CID 102557367) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
PubChem CID102557367
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
SMILESCC1CCCC(OC(C)C(=O)Nc2nc3ccccc3nc2N2CCCC2)C1
InChIInChI=1S/C22H30N4O2/c1-15-8-7-9-17(14-15)28-16(2)22(27)25-20-21(26-12-5-6-13-26)24-19-11-4-3-10-18(19)23-20/h3-4,10-11,15-17H,5-9,12-14H2,1-2H3,(H,23,25,27)
InChIKeyKLQPOVWILUKEEI-UHFFFAOYSA-N
XLogP4.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 99104146
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 55608009
(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808571
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(3-methylcyclohexyl)oxypropan-1-one
CID 86961992

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (CID 102557367) is 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is CC1CCCC(OC(C)C(=O)Nc2nc3ccccc3nc2N2CCCC2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The InChIKey is KLQPOVWILUKEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15-8-7-9-17(14-15)28-16(2)22(27)25-20-21(26-12-5-6-13-26)24-19-11-4-3-10-18(19)23-20/h3-4,10-11,15-17H,5-9,12-14H2,1-2H3,(H,23,25,27).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is sourced from PubChem (CID 102557367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).