N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide

C18H25N7O2 — CID 129276277

IUPACN-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(/C(=N/N)N(C)N)CC3)cnc2c1
InChIInChI=1S/C18H25N7O2/c1-24(20)18(23-19)25-7-5-14(6-8-25)22-17(26)13-9-12-3-4-15(27-2)10-16(12)21-11-13/h3-4,9-11,14H,5-8,19-20H2,1-2H3,(H,22,26)/b23-18+
InChIKeyJXPMRXITTKSARP-PTGBLXJZSA-N
MW371.45 g/mol
LogP0.47
Rot. Bonds3

About N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide

N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide (PubChem CID 129276277) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
PubChem CID129276277
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(/C(=N/N)N(C)N)CC3)cnc2c1
InChIInChI=1S/C18H25N7O2/c1-24(20)18(23-19)25-7-5-14(6-8-25)22-17(26)13-9-12-3-4-15(27-2)10-16(12)21-11-13/h3-4,9-11,14H,5-8,19-20H2,1-2H3,(H,22,26)/b23-18+
InChIKeyJXPMRXITTKSARP-PTGBLXJZSA-N
XLogP0.47
TPSA122.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide
CID 129276284
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
CID 145333175
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
CID 155544242
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
7-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-3-carboxamide
CID 155559395
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide (CID 129276277) is N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCN(/C(=N/N)N(C)N)CC3)cnc2c1.
What is the InChIKey of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide?
The InChIKey is JXPMRXITTKSARP-PTGBLXJZSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-24(20)18(23-19)25-7-5-14(6-8-25)22-17(26)13-9-12-3-4-15(27-2)10-16(12)21-11-13/h3-4,9-11,14H,5-8,19-20H2,1-2H3,(H,22,26)/b23-18+.
What are the key properties of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide?
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 129276277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).