(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride

C20H25Cl2N3O — CID 119636803

IUPAC(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cc(C2CC2)nc2ccccc12)N1CCC2CCC(C1)N2
InChIInChI=1S/C20H23N3O.2ClH/c24-20(23-10-9-14-7-8-15(12-23)21-14)17-11-19(13-5-6-13)22-18-4-2-1-3-16(17)18;;/h1-4,11,13-15,21H,5-10,12H2;2*1H
InChIKeyJTEJFYCEMAIIHT-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.92
Rot. Bonds2

About (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride

(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride (PubChem CID 119636803) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
PubChem CID119636803
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cc(C2CC2)nc2ccccc12)N1CCC2CCC(C1)N2
InChIInChI=1S/C20H23N3O.2ClH/c24-20(23-10-9-14-7-8-15(12-23)21-14)17-11-19(13-5-6-13)22-18-4-2-1-3-16(17)18;;/h1-4,11,13-15,21H,5-10,12H2;2*1H
InChIKeyJTEJFYCEMAIIHT-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride with MolForge

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
(2-cyclopropylquinolin-4-yl)-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]methanone
CID 97434231
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638024
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
CID 126838949

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride (CID 119636803) is (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1cc(C2CC2)nc2ccccc12)N1CCC2CCC(C1)N2.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride?
The InChIKey is JTEJFYCEMAIIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.2ClH/c24-20(23-10-9-14-7-8-15(12-23)21-14)17-11-19(13-5-6-13)22-18-4-2-1-3-16(17)18;;/h1-4,11,13-15,21H,5-10,12H2;2*1H.
What are the key properties of (2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride?
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride has a molecular weight of 394.35 g/mol, XLogP of 3.92, 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)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119636803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).