3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone

C17H20N2O2 — CID 110684715

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C17H20N2O2/c1-11(2)15-16(21-12(3)18-15)17(20)19-10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,11H,6,8,10H2,1-3H3
InChIKeyMTPWTISEVRYGEM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.70
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 110684715) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID110684715
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C17H20N2O2/c1-11(2)15-16(21-12(3)18-15)17(20)19-10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,11H,6,8,10H2,1-3H3
InChIKeyMTPWTISEVRYGEM-UHFFFAOYSA-N
XLogP3.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110685050
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684687
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109335576
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone (CID 110684715) is 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone is Cc1nc(C(C)C)c(C(=O)N2CCCc3ccccc32)o1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is MTPWTISEVRYGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)15-16(21-12(3)18-15)17(20)19-10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,11H,6,8,10H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.70, 2 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-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).