2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride

C19H25Cl2N3O — CID 119514049

IUPAC2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NCC3CCCN3)c2c1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-12-4-7-17-15(9-12)16(10-18(22-17)13-5-6-13)19(23)21-11-14-3-2-8-20-14;;/h4,7,9-10,13-14,20H,2-3,5-6,8,11H2,1H3,(H,21,23);2*1H
InChIKeyAUHGELLCVLRGDR-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.75
Rot. Bonds4

About 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride

2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride (PubChem CID 119514049) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
PubChem CID119514049
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NCC3CCCN3)c2c1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-12-4-7-17-15(9-12)16(10-18(22-17)13-5-6-13)19(23)21-11-14-3-2-8-20-14;;/h4,7,9-10,13-14,20H,2-3,5-6,8,11H2,1H3,(H,21,23);2*1H
InChIKeyAUHGELLCVLRGDR-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119617086
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
1-tert-butyl-6-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119514669
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropyl-6-methylquinoline-4-carboxamide
CID 119575448
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride (CID 119514049) is 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride is Cc1ccc2nc(C3CC3)cc(C(=O)NCC3CCCN3)c2c1.Cl.Cl.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
The InChIKey is AUHGELLCVLRGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-12-4-7-17-15(9-12)16(10-18(22-17)13-5-6-13)19(23)21-11-14-3-2-8-20-14;;/h4,7,9-10,13-14,20H,2-3,5-6,8,11H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride?
2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).