benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate

C23H28N2O4 — CID 67717946

IUPACbenzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate
SMILESCC(OC(C)(C)CNC(=O)OCc1ccccc1)C1Cc2ccccc2NC1=O
InChIInChI=1S/C23H28N2O4/c1-16(19-13-18-11-7-8-12-20(18)25-21(19)26)29-23(2,3)15-24-22(27)28-14-17-9-5-4-6-10-17/h4-12,16,19H,13-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZRQXYOCAMOMXLR-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.91
Rot. Bonds7

About benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate

benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate (PubChem CID 67717946) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate
PubChem CID67717946
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namebenzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate
SMILESCC(OC(C)(C)CNC(=O)OCc1ccccc1)C1Cc2ccccc2NC1=O
InChIInChI=1S/C23H28N2O4/c1-16(19-13-18-11-7-8-12-20(18)25-21(19)26)29-23(2,3)15-24-22(27)28-14-17-9-5-4-6-10-17/h4-12,16,19H,13-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZRQXYOCAMOMXLR-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate?
The IUPAC name of benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate (CID 67717946) is benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate.
What is the SMILES notation for benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate?
The canonical SMILES for benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate is CC(OC(C)(C)CNC(=O)OCc1ccccc1)C1Cc2ccccc2NC1=O.
What is the InChIKey of benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate?
The InChIKey is ZRQXYOCAMOMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(19-13-18-11-7-8-12-20(18)25-21(19)26)29-23(2,3)15-24-22(27)28-14-17-9-5-4-6-10-17/h4-12,16,19H,13-15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate?
benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-methyl-2-[1-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethoxy]propyl]carbamate is sourced from PubChem (CID 67717946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).