[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C21H29N5O2 — CID 166254374

IUPAC[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCCc3cc(N4CCCCC4C)ccc32)nn1
InChIInChI=1S/C21H29N5O2/c1-16-6-3-4-10-25(16)18-8-9-20-17(14-18)7-5-11-26(20)21(27)19-15-24(23-22-19)12-13-28-2/h8-9,14-16H,3-7,10-13H2,1-2H3
InChIKeyCOSOCFUMMRQKMN-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.90
Rot. Bonds5

About [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 166254374) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID166254374
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCCc3cc(N4CCCCC4C)ccc32)nn1
InChIInChI=1S/C21H29N5O2/c1-16-6-3-4-10-25(16)18-8-9-20-17(14-18)7-5-11-26(20)21(27)19-15-24(23-22-19)12-13-28-2/h8-9,14-16H,3-7,10-13H2,1-2H3
InChIKeyCOSOCFUMMRQKMN-UHFFFAOYSA-N
XLogP2.90
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 166254374) is [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is COCCn1cc(C(=O)N2CCCc3cc(N4CCCCC4C)ccc32)nn1.
What is the InChIKey of [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is COSOCFUMMRQKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-6-3-4-10-25(16)18-8-9-20-17(14-18)7-5-11-26(20)21(27)19-15-24(23-22-19)12-13-28-2/h8-9,14-16H,3-7,10-13H2,1-2H3.
What are the key properties of [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 166254374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).