6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide

C18H20ClN3O — CID 119512896

IUPAC6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H20ClN3O/c19-12-5-6-16-14(8-12)15(9-17(22-16)11-3-4-11)18(23)21-10-13-2-1-7-20-13/h5-6,8-9,11,13,20H,1-4,7,10H2,(H,21,23)
InChIKeyFEOUQMISGMBKHX-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.25
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide

6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 119512896) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID119512896
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H20ClN3O/c19-12-5-6-16-14(8-12)15(9-17(22-16)11-3-4-11)18(23)21-10-13-2-1-7-20-13/h5-6,8-9,11,13,20H,1-4,7,10H2,(H,21,23)
InChIKeyFEOUQMISGMBKHX-UHFFFAOYSA-N
XLogP3.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.25
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
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
CID 119507689
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520185
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide (CID 119512896) is 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide is O=C(NCC1CCCN1)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is FEOUQMISGMBKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-12-5-6-16-14(8-12)15(9-17(22-16)11-3-4-11)18(23)21-10-13-2-1-7-20-13/h5-6,8-9,11,13,20H,1-4,7,10H2,(H,21,23).
What are the key properties of 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide?
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 119512896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).