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

C20H27N3 — CID 133402712

IUPAC4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
SMILESCCCc1cc(N2CCC3CCC(C2)N3C)c2ccccc2n1
InChIInChI=1S/C20H27N3/c1-3-6-15-13-20(18-7-4-5-8-19(18)21-15)23-12-11-16-9-10-17(14-23)22(16)2/h4-5,7-8,13,16-17H,3,6,9-12,14H2,1-2H3
InChIKeyGSOAUOJDMJZWBF-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.86
Rot. Bonds3

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

4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline (PubChem CID 133402712) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline.

Molecular Properties

Compound Name4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
PubChem CID133402712
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
SMILESCCCc1cc(N2CCC3CCC(C2)N3C)c2ccccc2n1
InChIInChI=1S/C20H27N3/c1-3-6-15-13-20(18-7-4-5-8-19(18)21-15)23-12-11-16-9-10-17(14-23)22(16)2/h4-5,7-8,13,16-17H,3,6,9-12,14H2,1-2H3
InChIKeyGSOAUOJDMJZWBF-UHFFFAOYSA-N
XLogP3.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
CID 133405148
4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133401776
2-(1-methylpyrazol-4-yl)-4-(2-propylquinolin-4-yl)morpholine
CID 133412215
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
2-propyl-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline
CID 133401235
7-(2-propylquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133412371
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133401512
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

Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline?
The IUPAC name of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline (CID 133402712) is 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline.
What is the SMILES notation for 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline?
The canonical SMILES for 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline is CCCc1cc(N2CCC3CCC(C2)N3C)c2ccccc2n1.
What is the InChIKey of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline?
The InChIKey is GSOAUOJDMJZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-6-15-13-20(18-7-4-5-8-19(18)21-15)23-12-11-16-9-10-17(14-23)22(16)2/h4-5,7-8,13,16-17H,3,6,9-12,14H2,1-2H3.
What are the key properties of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline?
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline has a molecular weight of 309.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline is sourced from PubChem (CID 133402712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).