oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H23NO2 — CID 110662937

IUPACoxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc2c(cc1C)N(C(=O)C1CCCO1)CC(C)C2
InChIInChI=1S/C17H23NO2/c1-11-7-14-8-12(2)13(3)9-15(14)18(10-11)17(19)16-5-4-6-20-16/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyAWRURACKIQSKSB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds1

About oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone

oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110662937) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110662937
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameoxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc2c(cc1C)N(C(=O)C1CCCO1)CC(C)C2
InChIInChI=1S/C17H23NO2/c1-11-7-14-8-12(2)13(3)9-15(14)18(10-11)17(19)16-5-4-6-20-16/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyAWRURACKIQSKSB-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 107388687
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-morpholin-2-ylmethanone
CID 63522121
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 167847220
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
CID 110639147
1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902245
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146226497
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110662937) is oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc2c(cc1C)N(C(=O)C1CCCO1)CC(C)C2.
What is the InChIKey of oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is AWRURACKIQSKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-7-14-8-12(2)13(3)9-15(14)18(10-11)17(19)16-5-4-6-20-16/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(3,6,7-trimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110662937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).