7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride

C18H25Cl2FN4O — CID 119392326

IUPAC7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
SMILESCc1nc2cc(F)ccc2cc1C(=O)NCCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C18H23FN4O.2ClH/c1-13-16(11-14-3-4-15(19)12-17(14)22-13)18(24)21-5-2-8-23-9-6-20-7-10-23;;/h3-4,11-12,20H,2,5-10H2,1H3,(H,21,24);2*1H
InChIKeyYVHAJQZNZPAUQE-UHFFFAOYSA-N
MW403.33 g/mol
LogP2.55
Rot. Bonds5

About 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride

7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride (PubChem CID 119392326) has the molecular formula C18H25Cl2FN4O and a molecular weight of 403.33 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
PubChem CID119392326
Molecular FormulaC18H25Cl2FN4O
Molecular Weight403.33 g/mol
Exact Mass402.14
IUPAC Name7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
SMILESCc1nc2cc(F)ccc2cc1C(=O)NCCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C18H23FN4O.2ClH/c1-13-16(11-14-3-4-15(19)12-17(14)22-13)18(24)21-5-2-8-23-9-6-20-7-10-23;;/h3-4,11-12,20H,2,5-10H2,1H3,(H,21,24);2*1H
InChIKeyYVHAJQZNZPAUQE-UHFFFAOYSA-N
XLogP2.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
1-(4-fluorophenyl)-2,5-dimethyl-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119393216
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
1-(3-fluorophenyl)-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119392110
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride?
The IUPAC name of 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride (CID 119392326) is 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride is Cc1nc2cc(F)ccc2cc1C(=O)NCCCN1CCNCC1.Cl.Cl.
What is the InChIKey of 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride?
The InChIKey is YVHAJQZNZPAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.2ClH/c1-13-16(11-14-3-4-15(19)12-17(14)22-13)18(24)21-5-2-8-23-9-6-20-7-10-23;;/h3-4,11-12,20H,2,5-10H2,1H3,(H,21,24);2*1H.
What are the key properties of 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride?
7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride has a molecular weight of 403.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119392326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).