[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone

C18H20ClN3O — CID 124611735

IUPAC[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
SMILESNC[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H20ClN3O/c19-13-3-4-16-14(7-13)15(8-17(21-16)12-1-2-12)18(23)22-6-5-11(9-20)10-22/h3-4,7-8,11-12H,1-2,5-6,9-10,20H2/t11-/m0/s1
InChIKeyNSMULCJKEZUCJC-NSHDSACASA-N
MW329.83 g/mol
LogP3.19
Rot. Bonds3

About [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone (PubChem CID 124611735) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
PubChem CID124611735
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
SMILESNC[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H20ClN3O/c19-13-3-4-16-14(7-13)15(8-17(21-16)12-1-2-12)18(23)22-6-5-11(9-20)10-22/h3-4,7-8,11-12H,1-2,5-6,9-10,20H2/t11-/m0/s1
InChIKeyNSMULCJKEZUCJC-NSHDSACASA-N
XLogP3.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone with MolForge

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Related Compounds

(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 120814660
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(7-chloroquinolin-2-yl)methanone
CID 124611498
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
The IUPAC name of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone (CID 124611735) is [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
The canonical SMILES for [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone is NC[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1.
What is the InChIKey of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
The InChIKey is NSMULCJKEZUCJC-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-13-3-4-16-14(7-13)15(8-17(21-16)12-1-2-12)18(23)22-6-5-11(9-20)10-22/h3-4,7-8,11-12H,1-2,5-6,9-10,20H2/t11-/m0/s1.
What are the key properties of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone has a molecular weight of 329.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone is sourced from PubChem (CID 124611735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).