(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride

C20H26Cl3N3O — CID 120814660

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
SMILESCC1(C)CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCC1N.Cl.Cl
InChIInChI=1S/C20H24ClN3O.2ClH/c1-20(2)11-24(8-7-18(20)22)19(25)15-10-17(12-3-4-12)23-16-6-5-13(21)9-14(15)16;;/h5-6,9-10,12,18H,3-4,7-8,11,22H2,1-2H3;2*1H
InChIKeyOUBRXZYEJBYUFX-UHFFFAOYSA-N
MW430.81 g/mol
LogP4.81
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 120814660) has the molecular formula C20H26Cl3N3O and a molecular weight of 430.81 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
PubChem CID120814660
Molecular FormulaC20H26Cl3N3O
Molecular Weight430.81 g/mol
Exact Mass429.11
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
SMILESCC1(C)CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCC1N.Cl.Cl
InChIInChI=1S/C20H24ClN3O.2ClH/c1-20(2)11-24(8-7-18(20)22)19(25)15-10-17(12-3-4-12)23-16-6-5-13(21)9-14(15)16;;/h5-6,9-10,12,18H,3-4,7-8,11,22H2,1-2H3;2*1H
InChIKeyOUBRXZYEJBYUFX-UHFFFAOYSA-N
XLogP4.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 120814221
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride (CID 120814660) is (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride is CC1(C)CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCC1N.Cl.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is OUBRXZYEJBYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O.2ClH/c1-20(2)11-24(8-7-18(20)22)19(25)15-10-17(12-3-4-12)23-16-6-5-13(21)9-14(15)16;;/h5-6,9-10,12,18H,3-4,7-8,11,22H2,1-2H3;2*1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 430.81 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120814660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).