N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide

C22H26N4O3 — CID 99805784

IUPACN'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESCC1CCC(N2C[C@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)CC1
InChIInChI=1S/C22H26N4O3/c1-14-6-9-17(10-7-14)26-13-16(12-20(26)27)21(28)24-25-22(29)19-11-8-15-4-2-3-5-18(15)23-19/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,24,28)(H,25,29)/t14?,16-,17?/m1/s1
InChIKeyONKSNMZPMGPAJW-ARWYELJZSA-N
MW394.48 g/mol
LogP2.42
Rot. Bonds3

About N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide

N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide (PubChem CID 99805784) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
PubChem CID99805784
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESCC1CCC(N2C[C@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)CC1
InChIInChI=1S/C22H26N4O3/c1-14-6-9-17(10-7-14)26-13-16(12-20(26)27)21(28)24-25-22(29)19-11-8-15-4-2-3-5-18(15)23-19/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,24,28)(H,25,29)/t14?,16-,17?/m1/s1
InChIKeyONKSNMZPMGPAJW-ARWYELJZSA-N
XLogP2.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 46652377
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 36809683
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 132970242
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide (CID 99805784) is N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide is CC1CCC(N2C[C@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)CC1.
What is the InChIKey of N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is ONKSNMZPMGPAJW-ARWYELJZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-6-9-17(10-7-14)26-13-16(12-20(26)27)21(28)24-25-22(29)19-11-8-15-4-2-3-5-18(15)23-19/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,24,28)(H,25,29)/t14?,16-,17?/m1/s1.
What are the key properties of N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 394.48 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 99805784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).