7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen

C18H25F2N7O2 — CID 145333175

IUPAC7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
SMILES[H]/N=C(/N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1)N(C)NN.[H][H]
InChIInChI=1S/C18H23F2N7O2.H2/c1-26(25-22)18(21)27-6-4-13(5-7-27)24-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)23-10-12;/h2-3,8-10,13,17,21,25H,4-7,22H2,1H3,(H,24,28);1H/b21-18+;
InChIKeyBLSRTXPYMCKGES-GOSREXKOSA-N
MW409.44 g/mol
LogP1.52
Rot. Bonds5

About 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen

7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen (PubChem CID 145333175) has the molecular formula C18H25F2N7O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
PubChem CID145333175
Molecular FormulaC18H25F2N7O2
Molecular Weight409.44 g/mol
Exact Mass409.20
IUPAC Name7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
SMILES[H]/N=C(/N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1)N(C)NN.[H][H]
InChIInChI=1S/C18H23F2N7O2.H2/c1-26(25-22)18(21)27-6-4-13(5-7-27)24-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)23-10-12;/h2-3,8-10,13,17,21,25H,4-7,22H2,1H3,(H,24,28);1H/b21-18+;
InChIKeyBLSRTXPYMCKGES-GOSREXKOSA-N
XLogP1.52
TPSA119.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.52
H-Bond Donors ≤ 54
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'}

Analyze 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen with MolForge

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Related Compounds

7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
CID 129276277
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375
7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
CID 129276278
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
CID 129247417
4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
CID 158568245
N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
CID 150149024

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen?
The IUPAC name of 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen (CID 145333175) is 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen?
The canonical SMILES for 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen is [H]/N=C(/N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1)N(C)NN.[H][H].
What is the InChIKey of 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen?
The InChIKey is BLSRTXPYMCKGES-GOSREXKOSA-N. The full InChI is InChI=1S/C18H23F2N7O2.H2/c1-26(25-22)18(21)27-6-4-13(5-7-27)24-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)23-10-12;/h2-3,8-10,13,17,21,25H,4-7,22H2,1H3,(H,24,28);1H/b21-18+;.
What are the key properties of 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen?
7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen has a molecular weight of 409.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 145333175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).