1,2-oxazolidin-2-yl(quinolin-4-yl)methanone

C13H12N2O2 — CID 113375772

IUPAC1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
SMILESO=C(c1ccnc2ccccc12)N1CCCO1
InChIInChI=1S/C13H12N2O2/c16-13(15-8-3-9-17-15)11-6-7-14-12-5-2-1-4-10(11)12/h1-2,4-7H,3,8-9H2
InChIKeyOETAXCGTLYEPFW-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.01
Rot. Bonds1

About 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone

1,2-oxazolidin-2-yl(quinolin-4-yl)methanone (PubChem CID 113375772) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone.

Molecular Properties

Compound Name1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
PubChem CID113375772
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
SMILESO=C(c1ccnc2ccccc12)N1CCCO1
InChIInChI=1S/C13H12N2O2/c16-13(15-8-3-9-17-15)11-6-7-14-12-5-2-1-4-10(11)12/h1-2,4-7H,3,8-9H2
InChIKeyOETAXCGTLYEPFW-UHFFFAOYSA-N
XLogP2.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
CID 154753164
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-4-ylmethanone
CID 98811723
N-(morpholin-4-ylmethyl)-N-phenylquinoline-4-carboxamide
CID 131964418
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
CID 71971495
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
quinoline-4-carbonyl cyanide
CID 119091066

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone?
The IUPAC name of 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone (CID 113375772) is 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone.
What is the SMILES notation for 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone?
The canonical SMILES for 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone is O=C(c1ccnc2ccccc12)N1CCCO1.
What is the InChIKey of 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone?
The InChIKey is OETAXCGTLYEPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(15-8-3-9-17-15)11-6-7-14-12-5-2-1-4-10(11)12/h1-2,4-7H,3,8-9H2.
What are the key properties of 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone?
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone has a molecular weight of 228.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazolidin-2-yl(quinolin-4-yl)methanone is sourced from PubChem (CID 113375772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).