3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone

C19H21NO2 — CID 86893884

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO2/c1-14(2)22-18-12-6-4-10-16(18)19(21)20-13-7-9-15-8-3-5-11-17(15)20/h3-6,8,10-12,14H,7,9,13H2,1-2H3
InChIKeyZFSFKBFPAALYGD-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.07
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone (PubChem CID 86893884) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
PubChem CID86893884
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO2/c1-14(2)22-18-12-6-4-10-16(18)19(21)20-13-7-9-15-8-3-5-11-17(15)20/h3-6,8,10-12,14H,7,9,13H2,1-2H3
InChIKeyZFSFKBFPAALYGD-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954325
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108967751
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone (CID 86893884) is 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is ZFSFKBFPAALYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)22-18-12-6-4-10-16(18)19(21)20-13-7-9-15-8-3-5-11-17(15)20/h3-6,8,10-12,14H,7,9,13H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 86893884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).