oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C14H17NO2 — CID 116610355

IUPACoxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)C1CCOC1
InChIInChI=1S/C14H17NO2/c16-14(10-6-8-17-9-10)12-3-1-5-13-11(12)4-2-7-15-13/h1,3,5,10,15H,2,4,6-9H2
InChIKeySSCOYDYNHQBBRW-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.26
Rot. Bonds2

About oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone

oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 116610355) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID116610355
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameoxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)C1CCOC1
InChIInChI=1S/C14H17NO2/c16-14(10-6-8-17-9-10)12-3-1-5-13-11(12)4-2-7-15-13/h1,3,5,10,15H,2,4,6-9H2
InChIKeySSCOYDYNHQBBRW-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-yl)-2,3-dihydro-1H-quinolin-4-one
CID 145982331
2-(oxolan-2-yl)-2,3-dihydro-1H-quinolin-4-one
CID 145991767
2-methyl-3-[[(1S)-1-(oxan-4-yl)ethyl]amino]benzamide
CID 97801633
2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 143751487
5,5,5-Trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one
CID 116610449
4,4,4-Trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)butan-1-one
CID 116610489
1-(1,2,3,4-Tetrahydroquinolin-5-yl)propan-1-one
CID 57142307
1-(1,2,3,4-Tetrahydroquinolin-5-yl)ethanone
CID 59090882
1,2,3,4-Tetrahydroquinoline-5-carbaldehyde
CID 84651227
1-[2-Methyl-3-(oxan-4-ylamino)phenyl]ethanone
CID 123996078
1-[3-[(2,2-Dimethyloxan-4-yl)amino]phenyl]ethanone
CID 139435361
methane;4-methyl-7-[[(E)-2-methyl-3-[(Z)-prop-1-enoxy]prop-2-enyl]amino]-3-propoxy-2H-naphthalen-1-one
CID 142146890

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 116610355) is oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cccc2c1CCCN2)C1CCOC1.
What is the InChIKey of oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is SSCOYDYNHQBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(10-6-8-17-9-10)12-3-1-5-13-11(12)4-2-7-15-13/h1,3,5,10,15H,2,4,6-9H2.
What are the key properties of oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 116610355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).