4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline

C18H23N3 — CID 81495492

IUPAC4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
SMILESCc1cc(CN2CCC3CCC(C2)N3)c2ccccc2n1
InChIInChI=1S/C18H23N3/c1-13-10-14(17-4-2-3-5-18(17)19-13)11-21-9-8-15-6-7-16(12-21)20-15/h2-5,10,15-16,20H,6-9,11-12H2,1H3
InChIKeyIIAFUVIYZLSDFF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.87
Rot. Bonds2

About 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline

4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline (PubChem CID 81495492) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline.

Molecular Properties

Compound Name4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
PubChem CID81495492
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
SMILESCc1cc(CN2CCC3CCC(C2)N3)c2ccccc2n1
InChIInChI=1S/C18H23N3/c1-13-10-14(17-4-2-3-5-18(17)19-13)11-21-9-8-15-6-7-16(12-21)20-15/h2-5,10,15-16,20H,6-9,11-12H2,1H3
InChIKeyIIAFUVIYZLSDFF-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495523
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
CID 79230902
3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline?
The IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline (CID 81495492) is 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline.
What is the SMILES notation for 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline?
The canonical SMILES for 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline is Cc1cc(CN2CCC3CCC(C2)N3)c2ccccc2n1.
What is the InChIKey of 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline?
The InChIKey is IIAFUVIYZLSDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-10-14(17-4-2-3-5-18(17)19-13)11-21-9-8-15-6-7-16(12-21)20-15/h2-5,10,15-16,20H,6-9,11-12H2,1H3.
What are the key properties of 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline?
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline has a molecular weight of 281.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline is sourced from PubChem (CID 81495492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).