N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide

C18H24ClN7O2 — CID 129276284

IUPACN-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(=O)NC3CCN(/C(=N/N)N(C)N)CC3)cc2cc1Cl
InChIInChI=1S/C18H24ClN7O2/c1-25(21)18(24-20)26-5-3-13(4-6-26)23-17(27)12-7-11-8-14(19)16(28-2)9-15(11)22-10-12/h7-10,13H,3-6,20-21H2,1-2H3,(H,23,27)/b24-18+
InChIKeyYSKJBGGOZQBYMO-HKOYGPOVSA-N
MW405.89 g/mol
LogP1.13
Rot. Bonds3

About N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide

N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide (PubChem CID 129276284) has the molecular formula C18H24ClN7O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide
PubChem CID129276284
Molecular FormulaC18H24ClN7O2
Molecular Weight405.89 g/mol
Exact Mass405.17
IUPAC NameN-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(=O)NC3CCN(/C(=N/N)N(C)N)CC3)cc2cc1Cl
InChIInChI=1S/C18H24ClN7O2/c1-25(21)18(24-20)26-5-3-13(4-6-26)23-17(27)12-7-11-8-14(19)16(28-2)9-15(11)22-10-12/h7-10,13H,3-6,20-21H2,1-2H3,(H,23,27)/b24-18+
InChIKeyYSKJBGGOZQBYMO-HKOYGPOVSA-N
XLogP1.13
TPSA122.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.13
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]-7-methoxyquinoline-3-carboxamide
CID 129276277
4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide
CID 169102861
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide (CID 129276284) is N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide is COc1cc2ncc(C(=O)NC3CCN(/C(=N/N)N(C)N)CC3)cc2cc1Cl.
What is the InChIKey of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide?
The InChIKey is YSKJBGGOZQBYMO-HKOYGPOVSA-N. The full InChI is InChI=1S/C18H24ClN7O2/c1-25(21)18(24-20)26-5-3-13(4-6-26)23-17(27)12-7-11-8-14(19)16(28-2)9-15(11)22-10-12/h7-10,13H,3-6,20-21H2,1-2H3,(H,23,27)/b24-18+.
What are the key properties of N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide?
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 1.13, 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]-6-chloro-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 129276284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).