(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone

C20H20N4O2 — CID 43066680

IUPAC(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1nn(-c3ccccc3)nc1C)CCC2
InChIInChI=1S/C20H20N4O2/c1-14-18(22-24(21-14)16-10-4-3-5-11-16)20(25)23-13-7-9-15-8-6-12-17(26-2)19(15)23/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyAUBDAABZZJEZDA-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.18
Rot. Bonds3

About (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone

(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone (PubChem CID 43066680) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
PubChem CID43066680
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1nn(-c3ccccc3)nc1C)CCC2
InChIInChI=1S/C20H20N4O2/c1-14-18(22-24(21-14)16-10-4-3-5-11-16)20(25)23-13-7-9-15-8-6-12-17(26-2)19(15)23/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyAUBDAABZZJEZDA-UHFFFAOYSA-N
XLogP3.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 99811747
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55632726
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55632538
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43066695
(5-methyl-2-phenyltriazol-4-yl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)methanone
CID 2799321
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
(2-chlorofuran-3-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106686458
3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60958471
(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 48575972
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone (CID 43066680) is (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone is COc1cccc2c1N(C(=O)c1nn(-c3ccccc3)nc1C)CCC2.
What is the InChIKey of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone?
The InChIKey is AUBDAABZZJEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-18(22-24(21-14)16-10-4-3-5-11-16)20(25)23-13-7-9-15-8-6-12-17(26-2)19(15)23/h3-6,8,10-12H,7,9,13H2,1-2H3.
What are the key properties of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone?
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 43066680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).