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

C19H24Cl3N3O — CID 120572778

IUPAC(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1C.Cl.Cl
InChIInChI=1S/C19H22ClN3O.2ClH/c1-11-12(2)23(8-7-21-11)19(24)16-10-18(13-3-4-13)22-17-6-5-14(20)9-15(16)17;;/h5-6,9-13,21H,3-4,7-8H2,1-2H3;2*1H
InChIKeyQVGCUIPURMHUNM-UHFFFAOYSA-N
MW416.78 g/mol
LogP4.43
Rot. Bonds2

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

(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120572778) has the molecular formula C19H24Cl3N3O and a molecular weight of 416.78 g/mol. Its IUPAC name is (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120572778
Molecular FormulaC19H24Cl3N3O
Molecular Weight416.78 g/mol
Exact Mass415.10
IUPAC Name(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1C.Cl.Cl
InChIInChI=1S/C19H22ClN3O.2ClH/c1-11-12(2)23(8-7-21-11)19(24)16-10-18(13-3-4-13)22-17-6-5-14(20)9-15(16)17;;/h5-6,9-13,21H,3-4,7-8H2,1-2H3;2*1H
InChIKeyQVGCUIPURMHUNM-UHFFFAOYSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385
(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
(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520741
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570635
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356858
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone
CID 124691673
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride (CID 120572778) is (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride is CC1NCCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1C.Cl.Cl.
What is the InChIKey of (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is QVGCUIPURMHUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.2ClH/c1-11-12(2)23(8-7-21-11)19(24)16-10-18(13-3-4-13)22-17-6-5-14(20)9-15(16)17;;/h5-6,9-13,21H,3-4,7-8H2,1-2H3;2*1H.
What are the key properties of (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 416.78 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120572778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).