N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride

C14H17Cl2N3O — CID 119840923

IUPACN-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cnc2ccccc2c1)C1CCNC1
InChIInChI=1S/C14H15N3O.2ClH/c18-14(11-5-6-15-8-11)17-12-7-10-3-1-2-4-13(10)16-9-12;;/h1-4,7,9,11,15H,5-6,8H2,(H,17,18);2*1H
InChIKeyNESUZRHGTBBSDE-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.63
Rot. Bonds2

About N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride

N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119840923) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119840923
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cnc2ccccc2c1)C1CCNC1
InChIInChI=1S/C14H15N3O.2ClH/c18-14(11-5-6-15-8-11)17-12-7-10-3-1-2-4-13(10)16-9-12;;/h1-4,7,9,11,15H,5-6,8H2,(H,17,18);2*1H
InChIKeyNESUZRHGTBBSDE-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119840907
(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
(1R,2S,3S,4R)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18555567
(1R,2R,3S,4S)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 7470349
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (CID 119840923) is N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cnc2ccccc2c1)C1CCNC1.
What is the InChIKey of N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is NESUZRHGTBBSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.2ClH/c18-14(11-5-6-15-8-11)17-12-7-10-3-1-2-4-13(10)16-9-12;;/h1-4,7,9,11,15H,5-6,8H2,(H,17,18);2*1H.
What are the key properties of N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 314.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119840923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).