N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride

C15H19Cl2N3O — CID 119855878

IUPACN-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cnc2ccccc2c1)C1CCCN1
InChIInChI=1S/C15H17N3O.2ClH/c19-15(14-6-3-7-16-14)18-10-11-8-12-4-1-2-5-13(12)17-9-11;;/h1-2,4-5,8-9,14,16H,3,6-7,10H2,(H,18,19);2*1H
InChIKeyVMYHYFFOLXWRKT-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.45
Rot. Bonds3

About N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride

N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119855878) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119855878
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cnc2ccccc2c1)C1CCCN1
InChIInChI=1S/C15H17N3O.2ClH/c19-15(14-6-3-7-16-14)18-10-11-8-12-4-1-2-5-13(12)17-9-11;;/h1-2,4-5,8-9,14,16H,3,6-7,10H2,(H,18,19);2*1H
InChIKeyVMYHYFFOLXWRKT-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119840907
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119855878) is N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1cnc2ccccc2c1)C1CCCN1.
What is the InChIKey of N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is VMYHYFFOLXWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c19-15(14-6-3-7-16-14)18-10-11-8-12-4-1-2-5-13(12)17-9-11;;/h1-2,4-5,8-9,14,16H,3,6-7,10H2,(H,18,19);2*1H.
What are the key properties of N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119855878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).