6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide

C17H18BrN5O3 — CID 169102861

IUPAC6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide
SMILESNNC(=O)C(=O)N1CCC(NC(=O)c2cnc3ccc(Br)cc3c2)CC1
InChIInChI=1S/C17H18BrN5O3/c18-12-1-2-14-10(8-12)7-11(9-20-14)15(24)21-13-3-5-23(6-4-13)17(26)16(25)22-19/h1-2,7-9,13H,3-6,19H2,(H,21,24)(H,22,25)
InChIKeyUVDXDPKQVHBZGW-UHFFFAOYSA-N
MW420.27 g/mol
LogP0.71
Rot. Bonds2

About 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide

6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 169102861) has the molecular formula C17H18BrN5O3 and a molecular weight of 420.27 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide
PubChem CID169102861
Molecular FormulaC17H18BrN5O3
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide
SMILESNNC(=O)C(=O)N1CCC(NC(=O)c2cnc3ccc(Br)cc3c2)CC1
InChIInChI=1S/C17H18BrN5O3/c18-12-1-2-14-10(8-12)7-11(9-20-14)15(24)21-13-3-5-23(6-4-13)17(26)16(25)22-19/h1-2,7-9,13H,3-6,19H2,(H,21,24)(H,22,25)
InChIKeyUVDXDPKQVHBZGW-UHFFFAOYSA-N
XLogP0.71
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-6-hydroxyquinoline-3-carboxamide
CID 69292752
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-6-chloro-7-methoxyquinoline-3-carboxamide
CID 129276284
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
6-fluoroquinoline-3-carbohydrazide
CID 119026646
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 67476109
3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
CID 89443577
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide
CID 88883035
6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide
CID 143495714
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
CID 129276277

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide (CID 169102861) is 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide is NNC(=O)C(=O)N1CCC(NC(=O)c2cnc3ccc(Br)cc3c2)CC1.
What is the InChIKey of 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is UVDXDPKQVHBZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O3/c18-12-1-2-14-10(8-12)7-11(9-20-14)15(24)21-13-3-5-23(6-4-13)17(26)16(25)22-19/h1-2,7-9,13H,3-6,19H2,(H,21,24)(H,22,25).
What are the key properties of 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide?
6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-hydrazinyl-2-oxoacetyl)piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 169102861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).