1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C20H27N5O — CID 135093963

IUPAC1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1CCC(c2nncn2C)CC1
InChIInChI=1S/C20H27N5O/c1-15-5-6-18-17(12-15)4-3-9-25(18)19(26)13-24-10-7-16(8-11-24)20-22-21-14-23(20)2/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3
InChIKeyUWAJRJJCLBOMFQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.28
Rot. Bonds3

About 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 135093963) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID135093963
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1CCC(c2nncn2C)CC1
InChIInChI=1S/C20H27N5O/c1-15-5-6-18-17(12-15)4-3-9-25(18)19(26)13-24-10-7-16(8-11-24)20-22-21-14-23(20)2/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3
InChIKeyUWAJRJJCLBOMFQ-UHFFFAOYSA-N
XLogP2.28
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 34226103
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 19499591
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085
10-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acridin-9-one
CID 25332662
3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72841521
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207
2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 91951725
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119685868
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 135093963) is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is Cc1ccc2c(c1)CCCN2C(=O)CN1CCC(c2nncn2C)CC1.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is UWAJRJJCLBOMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-5-6-18-17(12-15)4-3-9-25(18)19(26)13-24-10-7-16(8-11-24)20-22-21-14-23(20)2/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 135093963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).