(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride

C19H24Cl2FN3O — CID 119561347

IUPAC(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1.Cl.Cl
InChIInChI=1S/C19H22FN3O.2ClH/c1-21-14-6-8-23(9-7-14)19(24)16-11-18(12-2-3-12)22-17-5-4-13(20)10-15(16)17;;/h4-5,10-12,14,21H,2-3,6-9H2,1H3;2*1H
InChIKeyIVMQIBGQUPKKFX-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.92
Rot. Bonds3

About (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride

(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119561347) has the molecular formula C19H24Cl2FN3O and a molecular weight of 400.33 g/mol. Its IUPAC name is (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119561347
Molecular FormulaC19H24Cl2FN3O
Molecular Weight400.33 g/mol
Exact Mass399.13
IUPAC Name(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1.Cl.Cl
InChIInChI=1S/C19H22FN3O.2ClH/c1-21-14-6-8-23(9-7-14)19(24)16-11-18(12-2-3-12)22-17-5-4-13(20)10-15(16)17;;/h4-5,10-12,14,21H,2-3,6-9H2,1H3;2*1H
InChIKeyIVMQIBGQUPKKFX-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119561347) is (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride is CNC1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1.Cl.Cl.
What is the InChIKey of (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is IVMQIBGQUPKKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.2ClH/c1-21-14-6-8-23(9-7-14)19(24)16-11-18(12-2-3-12)22-17-5-4-13(20)10-15(16)17;;/h4-5,10-12,14,21H,2-3,6-9H2,1H3;2*1H.
What are the key properties of (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 400.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119561347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).