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

C18H19NO — CID 47097545

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C18H19NO/c1-13-7-5-10-16(14(13)2)18(20)19-12-6-9-15-8-3-4-11-17(15)19/h3-5,7-8,10-11H,6,9,12H2,1-2H3
InChIKeyNWTGTMFKLXKAKX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.90
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone (PubChem CID 47097545) 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-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
PubChem CID47097545
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C18H19NO/c1-13-7-5-10-16(14(13)2)18(20)19-12-6-9-15-8-3-4-11-17(15)19/h3-5,7-8,10-11H,6,9,12H2,1-2H3
InChIKeyNWTGTMFKLXKAKX-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

3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide
CID 139690669
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(2,3-dimethylphenyl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64851593
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone (CID 47097545) is 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone?
The InChIKey is NWTGTMFKLXKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-5-10-16(14(13)2)18(20)19-12-6-9-15-8-3-4-11-17(15)19/h3-5,7-8,10-11H,6,9,12H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2,3-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-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 47097545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).