N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide

C15H15N3O2 — CID 97315545

IUPACN'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
SMILESC[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H15N3O2/c1-9-8-12(9)15(20)18-17-14(19)11-6-2-4-10-5-3-7-16-13(10)11/h2-7,9,12H,8H2,1H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1
InChIKeyOIHSSCCYNPDWJP-SKDRFNHKSA-N
MW269.30 g/mol
LogP1.65
Rot. Bonds2

About N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide

N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide (PubChem CID 97315545) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide.

Molecular Properties

Compound NameN'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
PubChem CID97315545
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
SMILESC[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H15N3O2/c1-9-8-12(9)15(20)18-17-14(19)11-6-2-4-10-5-3-7-16-13(10)11/h2-7,9,12H,8H2,1H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1
InChIKeyOIHSSCCYNPDWJP-SKDRFNHKSA-N
XLogP1.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocyclopropyl)quinoline-8-carboxamide
CID 62875389
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide
CID 49201042
4-(quinoline-8-carbonylamino)oxolane-3-carboxylic acid
CID 66221838
N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 131737120
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
palladium;quinoline-8-carboxylic acid
CID 174945118
2-chloro-N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24662624

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide?
The IUPAC name of N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide (CID 97315545) is N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide.
What is the SMILES notation for N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide?
The canonical SMILES for N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide is C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc2cccnc12.
What is the InChIKey of N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide?
The InChIKey is OIHSSCCYNPDWJP-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-8-12(9)15(20)18-17-14(19)11-6-2-4-10-5-3-7-16-13(10)11/h2-7,9,12H,8H2,1H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1.
What are the key properties of N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide?
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide has a molecular weight of 269.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide is sourced from PubChem (CID 97315545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).