N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride

C22H24Cl2FN3O — CID 119476850

IUPACN-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C22H22FN3O.2ClH/c23-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)26-21)22(27)25-17-11-9-16(24)10-12-17;;/h1-8,13,16-17H,9-12,24H2,(H,25,27);2*1H
InChIKeyXRMOXVCCKKUYNC-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.88
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride (PubChem CID 119476850) has the molecular formula C22H24Cl2FN3O and a molecular weight of 436.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
PubChem CID119476850
Molecular FormulaC22H24Cl2FN3O
Molecular Weight436.36 g/mol
Exact Mass435.13
IUPAC NameN-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C22H22FN3O.2ClH/c23-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)26-21)22(27)25-17-11-9-16(24)10-12-17;;/h1-8,13,16-17H,9-12,24H2,(H,25,27);2*1H
InChIKeyXRMOXVCCKKUYNC-UHFFFAOYSA-N
XLogP4.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780535
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride (CID 119476850) is N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride?
The InChIKey is XRMOXVCCKKUYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O.2ClH/c23-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)26-21)22(27)25-17-11-9-16(24)10-12-17;;/h1-8,13,16-17H,9-12,24H2,(H,25,27);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride has a molecular weight of 436.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119476850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).