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

C18H19NO — CID 776290

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H19NO/c1-13-9-10-16(12-14(13)2)18(20)19-11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyKDKTVCLOOXTMFR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.90
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone (PubChem CID 776290) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
PubChem CID776290
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H19NO/c1-13-9-10-16(12-14(13)2)18(20)19-11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyKDKTVCLOOXTMFR-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086
3,4-dihydro-2H-quinolin-1-yl-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]methanone
CID 7685923
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
2,6-dimethyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzonitrile
CID 21083240
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone (CID 776290) is 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCCc3ccccc32)cc1C.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone?
The InChIKey is KDKTVCLOOXTMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-9-10-16(12-14(13)2)18(20)19-11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 776290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).