3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone

C18H19NO3 — CID 5061013

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H19NO3/c1-21-15-10-5-11-16(22-2)17(15)18(20)19-12-6-8-13-7-3-4-9-14(13)19/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyRUBICMXMOUNNGX-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone (PubChem CID 5061013) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
PubChem CID5061013
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H19NO3/c1-21-15-10-5-11-16(22-2)17(15)18(20)19-12-6-8-13-7-3-4-9-14(13)19/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyRUBICMXMOUNNGX-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1183918
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone (CID 5061013) is 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone?
The InChIKey is RUBICMXMOUNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-15-10-5-11-16(22-2)17(15)18(20)19-12-6-8-13-7-3-4-9-14(13)19/h3-5,7,9-11H,6,8,12H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 5061013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).