2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride

C18H23Cl2N3O — CID 119511849

IUPAC2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H21N3O.2ClH/c22-18(20-11-13-4-3-9-19-13)15-10-17(12-7-8-12)21-16-6-2-1-5-14(15)16;;/h1-2,5-6,10,12-13,19H,3-4,7-9,11H2,(H,20,22);2*1H
InChIKeyWBZIVSRIFWTBSX-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.44
Rot. Bonds4

About 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride

2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride (PubChem CID 119511849) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
PubChem CID119511849
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H21N3O.2ClH/c22-18(20-11-13-4-3-9-19-13)15-10-17(12-7-8-12)21-16-6-2-1-5-14(15)16;;/h1-2,5-6,10,12-13,19H,3-4,7-9,11H2,(H,20,22);2*1H
InChIKeyWBZIVSRIFWTBSX-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119514049
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
CID 46533084
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride (CID 119511849) is 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
The InChIKey is WBZIVSRIFWTBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c22-18(20-11-13-4-3-9-19-13)15-10-17(12-7-8-12)21-16-6-2-1-5-14(15)16;;/h1-2,5-6,10,12-13,19H,3-4,7-9,11H2,(H,20,22);2*1H.
What are the key properties of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119511849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).