4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline

C22H29N3 — CID 72852115

IUPAC4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
SMILESc1ccc2c(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)ccnc2c1
InChIInChI=1S/C22H29N3/c1-2-7-22-21(6-1)19(10-11-23-22)15-24-12-18-8-9-20(16-24)25(14-18)13-17-4-3-5-17/h1-2,6-7,10-11,17-18,20H,3-5,8-9,12-16H2/t18-,20+/m0/s1
InChIKeyFAUYWILNCWBOML-AZUAARDMSA-N
MW335.49 g/mol
LogP3.93
Rot. Bonds4

About 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline

4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline (PubChem CID 72852115) has the molecular formula C22H29N3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
PubChem CID72852115
Molecular FormulaC22H29N3
Molecular Weight335.49 g/mol
Exact Mass335.24
IUPAC Name4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
SMILESc1ccc2c(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)ccnc2c1
InChIInChI=1S/C22H29N3/c1-2-7-22-21(6-1)19(10-11-23-22)15-24-12-18-8-9-20(16-24)25(14-18)13-17-4-3-5-17/h1-2,6-7,10-11,17-18,20H,3-5,8-9,12-16H2/t18-,20+/m0/s1
InChIKeyFAUYWILNCWBOML-AZUAARDMSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R)-N,N-dimethyl-6-(quinolin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72858014
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
(1R,5S)-6-(cyclobutylmethyl)-3-(1H-imidazol-5-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133125694
(1R,5S)-6-(cyclobutylmethyl)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133115319
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
(1R,5S)-6-(cyclopropylmethyl)-3-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133124265
(1S,5R)-3-(quinolin-4-ylmethyl)-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72842974
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089
(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72923876
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
The IUPAC name of 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline (CID 72852115) is 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline.
What is the SMILES notation for 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
The canonical SMILES for 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline is c1ccc2c(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)ccnc2c1.
What is the InChIKey of 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
The InChIKey is FAUYWILNCWBOML-AZUAARDMSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-7-22-21(6-1)19(10-11-23-22)15-24-12-18-8-9-20(16-24)25(14-18)13-17-4-3-5-17/h1-2,6-7,10-11,17-18,20H,3-5,8-9,12-16H2/t18-,20+/m0/s1.
What are the key properties of 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline has a molecular weight of 335.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline is sourced from PubChem (CID 72852115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).