8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline

C18H21N5O — CID 74246375

IUPAC8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
SMILESCOc1cccc2ccc(CN3CCCC3c3n[nH]c(C)n3)nc12
InChIInChI=1S/C18H21N5O/c1-12-19-18(22-21-12)15-6-4-10-23(15)11-14-9-8-13-5-3-7-16(24-2)17(13)20-14/h3,5,7-9,15H,4,6,10-11H2,1-2H3,(H,19,21,22)
InChIKeyGVCFNKDDEZADQQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.01
Rot. Bonds4

About 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline

8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline (PubChem CID 74246375) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
PubChem CID74246375
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
SMILESCOc1cccc2ccc(CN3CCCC3c3n[nH]c(C)n3)nc12
InChIInChI=1S/C18H21N5O/c1-12-19-18(22-21-12)15-6-4-10-23(15)11-14-9-8-13-5-3-7-16(24-2)17(13)20-14/h3,5,7-9,15H,4,6,10-11H2,1-2H3,(H,19,21,22)
InChIKeyGVCFNKDDEZADQQ-UHFFFAOYSA-N
XLogP3.01
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline with MolForge

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Related Compounds

(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122563198
3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74249928
3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74232912
4-methoxy-3-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 129492268
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
CID 77095137
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
2-methyl-7-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839409
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline (CID 74246375) is 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline is COc1cccc2ccc(CN3CCCC3c3n[nH]c(C)n3)nc12.
What is the InChIKey of 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is GVCFNKDDEZADQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-19-18(22-21-12)15-6-4-10-23(15)11-14-9-8-13-5-3-7-16(24-2)17(13)20-14/h3,5,7-9,15H,4,6,10-11H2,1-2H3,(H,19,21,22).
What are the key properties of 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 323.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 74246375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).