2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline

C19H25N3 — CID 133402710

IUPAC2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
SMILESCCc1cc(N2CCC3CCC(C2)N3C)c2ccccc2n1
InChIInChI=1S/C19H25N3/c1-3-14-12-19(17-6-4-5-7-18(17)20-14)22-11-10-15-8-9-16(13-22)21(15)2/h4-7,12,15-16H,3,8-11,13H2,1-2H3
InChIKeySAVQBLZAYFVIQG-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.47
Rot. Bonds2

About 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline

2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline (PubChem CID 133402710) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline.

Molecular Properties

Compound Name2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
PubChem CID133402710
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
SMILESCCc1cc(N2CCC3CCC(C2)N3C)c2ccccc2n1
InChIInChI=1S/C19H25N3/c1-3-14-12-19(17-6-4-5-7-18(17)20-14)22-11-10-15-8-9-16(13-22)21(15)2/h4-7,12,15-16H,3,8-11,13H2,1-2H3
InChIKeySAVQBLZAYFVIQG-UHFFFAOYSA-N
XLogP3.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133401512
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
4-(2-ethylquinolin-4-yl)thiomorpholine
CID 133400472
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374156
1-[4-(4-ethylpiperidin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63377701
[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374155
[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine
CID 63620945
2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 154742252
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline?
The IUPAC name of 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline (CID 133402710) is 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline.
What is the SMILES notation for 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline?
The canonical SMILES for 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline is CCc1cc(N2CCC3CCC(C2)N3C)c2ccccc2n1.
What is the InChIKey of 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline?
The InChIKey is SAVQBLZAYFVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-14-12-19(17-6-4-5-7-18(17)20-14)22-11-10-15-8-9-16(13-22)21(15)2/h4-7,12,15-16H,3,8-11,13H2,1-2H3.
What are the key properties of 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline?
2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline has a molecular weight of 295.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline is sourced from PubChem (CID 133402710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).