(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate

C13H12N2O3 — CID 123444610

IUPAC(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate
SMILESCC(OC(N)=O)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O3/c1-8(18-13(14)17)12(16)10-6-9-4-2-3-5-11(9)15-7-10/h2-8H,1H3,(H2,14,17)
InChIKeyRGHDILQFPCKORO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.90
Rot. Bonds3

About (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate

(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate (PubChem CID 123444610) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate
PubChem CID123444610
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate
SMILESCC(OC(N)=O)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O3/c1-8(18-13(14)17)12(16)10-6-9-4-2-3-5-11(9)15-7-10/h2-8H,1H3,(H2,14,17)
InChIKeyRGHDILQFPCKORO-UHFFFAOYSA-N
XLogP1.90
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinoline-3-carboxamide;hydrofluoride
CID 174911514
(E)-2-quinolin-3-ylbut-2-enamide
CID 174944026
quinoline-3-carboxylate
CID 4608508
(2-carbamoylphenyl) quinoline-3-carboxylate
CID 139568537
2-amino-1-quinolin-3-ylpent-4-yn-1-one
CID 116606523
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
CID 116604826
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
butyl quinoline-3-carboxylate
CID 54753708
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
CID 19079187

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate?
The IUPAC name of (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate (CID 123444610) is (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate.
What is the SMILES notation for (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate?
The canonical SMILES for (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate is CC(OC(N)=O)C(=O)c1cnc2ccccc2c1.
What is the InChIKey of (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate?
The InChIKey is RGHDILQFPCKORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8(18-13(14)17)12(16)10-6-9-4-2-3-5-11(9)15-7-10/h2-8H,1H3,(H2,14,17).
What are the key properties of (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate?
(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate has a molecular weight of 244.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate is sourced from PubChem (CID 123444610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).