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

C19H25Cl2N3O — CID 120569385

IUPAC(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1C.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-12-13(2)22(10-9-20-12)19(23)16-11-18(14-7-8-14)21-17-6-4-3-5-15(16)17;;/h3-6,11-14,20H,7-10H2,1-2H3;2*1H
InChIKeyBJXASVUXFFPXHU-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.78
Rot. Bonds2

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

(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120569385) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120569385
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1C.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-12-13(2)22(10-9-20-12)19(23)16-11-18(14-7-8-14)21-17-6-4-3-5-15(16)17;;/h3-6,11-14,20H,7-10H2,1-2H3;2*1H
InChIKeyBJXASVUXFFPXHU-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570635
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 120569390
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride (CID 120569385) is (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride is CC1NCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1C.Cl.Cl.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is BJXASVUXFFPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-12-13(2)22(10-9-20-12)19(23)16-11-18(14-7-8-14)21-17-6-4-3-5-15(16)17;;/h3-6,11-14,20H,7-10H2,1-2H3;2*1H.
What are the key properties of (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride?
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120569385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).