8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline

C20H24N4O — CID 133388481

IUPAC8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
SMILESCOc1cccc2c(N3CCC(Cn4cccn4)CC3)cc(C)nc12
InChIInChI=1S/C20H24N4O/c1-15-13-18(17-5-3-6-19(25-2)20(17)22-15)23-11-7-16(8-12-23)14-24-10-4-9-21-24/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3
InChIKeyAGAOPCUMWOSGDF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.66
Rot. Bonds4

About 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline

8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline (PubChem CID 133388481) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
PubChem CID133388481
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
SMILESCOc1cccc2c(N3CCC(Cn4cccn4)CC3)cc(C)nc12
InChIInChI=1S/C20H24N4O/c1-15-13-18(17-5-3-6-19(25-2)20(17)22-15)23-11-7-16(8-12-23)14-24-10-4-9-21-24/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3
InChIKeyAGAOPCUMWOSGDF-UHFFFAOYSA-N
XLogP3.66
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline
CID 133368592
1-(4-ethylpiperazin-1-yl)-2-[1-(8-methoxy-2-methylquinolin-4-yl)piperidin-4-yl]ethanone
CID 133388704
4-[1-(8-methoxy-2-methylquinolin-4-yl)pyrrolidin-3-yl]morpholine
CID 133368215
1-(8-methoxy-2-methylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453800
4-(2-ethylimidazol-1-yl)-8-methoxy-2-methylquinoline
CID 110435976
trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 118548103
5-[4-(8-methoxy-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368334
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-8-methoxy-2-methylquinoline
CID 133388588
4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 133368789
N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
CID 144970638
(2S)-2-(2,3-dimethoxyphenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetic acid
CID 97187301
(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 99859516

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
The IUPAC name of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline (CID 133388481) is 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline is COc1cccc2c(N3CCC(Cn4cccn4)CC3)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
The InChIKey is AGAOPCUMWOSGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-13-18(17-5-3-6-19(25-2)20(17)22-15)23-11-7-16(8-12-23)14-24-10-4-9-21-24/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline?
8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline has a molecular weight of 336.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133388481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).