[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone

C18H20F2N4O3 — CID 126780966

IUPAC[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
SMILESCC1(Cn2cc(C(=O)N3CCCc4cccc(OC(F)F)c43)nn2)COC1
InChIInChI=1S/C18H20F2N4O3/c1-18(10-26-11-18)9-23-8-13(21-22-23)16(25)24-7-3-5-12-4-2-6-14(15(12)24)27-17(19)20/h2,4,6,8,17H,3,5,7,9-11H2,1H3
InChIKeyOLINUTCZYGRDFZ-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.51
Rot. Bonds5

About [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone

[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone (PubChem CID 126780966) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
PubChem CID126780966
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC Name[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
SMILESCC1(Cn2cc(C(=O)N3CCCc4cccc(OC(F)F)c43)nn2)COC1
InChIInChI=1S/C18H20F2N4O3/c1-18(10-26-11-18)9-23-8-13(21-22-23)16(25)24-7-3-5-12-4-2-6-14(15(12)24)27-17(19)20/h2,4,6,8,17H,3,5,7,9-11H2,1H3
InChIKeyOLINUTCZYGRDFZ-UHFFFAOYSA-N
XLogP2.51
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5,5-dimethyl-3,4-dihydro-2H-1-benzazepin-1-yl)-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
CID 126784234
N-[4-[8-(difluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]acetamide
CID 60581444
(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 60581548
1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 86798226
1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 60581587
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156167
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 60581739
N-(4-hydroxy-3,5-dimethylphenyl)-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 137205460
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037
(2-chlorofuran-3-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106686458
2-[4-[(E)-3-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 60581774

Frequently Asked Questions

What is the IUPAC name of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The IUPAC name of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone (CID 126780966) is [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The canonical SMILES for [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone is CC1(Cn2cc(C(=O)N3CCCc4cccc(OC(F)F)c43)nn2)COC1.
What is the InChIKey of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The InChIKey is OLINUTCZYGRDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-18(10-26-11-18)9-23-8-13(21-22-23)16(25)24-7-3-5-12-4-2-6-14(15(12)24)27-17(19)20/h2,4,6,8,17H,3,5,7,9-11H2,1H3.
What are the key properties of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone has a molecular weight of 378.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 126780966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).