[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone

C17H20ClN3O — CID 97435158

IUPAC[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CN)c2ccc(Cl)cc2n1
InChIInChI=1S/C17H20ClN3O/c1-11-8-15(14-6-5-12(18)9-16(14)20-11)17(22)21-7-3-2-4-13(21)10-19/h5-6,8-9,13H,2-4,7,10,19H2,1H3/t13-/m1/s1
InChIKeyLKWLJPBEVYRZGA-CYBMUJFWSA-N
MW317.82 g/mol
LogP3.15
Rot. Bonds2

About [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone

[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone (PubChem CID 97435158) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone
PubChem CID97435158
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CN)c2ccc(Cl)cc2n1
InChIInChI=1S/C17H20ClN3O/c1-11-8-15(14-6-5-12(18)9-16(14)20-11)17(22)21-7-3-2-4-13(21)10-19/h5-6,8-9,13H,2-4,7,10,19H2,1H3/t13-/m1/s1
InChIKeyLKWLJPBEVYRZGA-CYBMUJFWSA-N
XLogP3.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827
(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 96574367
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119469360
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone (CID 97435158) is [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCCC[C@@H]2CN)c2ccc(Cl)cc2n1.
What is the InChIKey of [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone?
The InChIKey is LKWLJPBEVYRZGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11-8-15(14-6-5-12(18)9-16(14)20-11)17(22)21-7-3-2-4-13(21)10-19/h5-6,8-9,13H,2-4,7,10,19H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone?
[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone has a molecular weight of 317.82 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 97435158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).