(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate

C16H18N2O4 — CID 59527158

IUPAC(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate
SMILESCc1c(COC(=O)N2CCOCC2)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N2O4/c1-11-14(10-22-16(20)18-6-8-21-9-7-18)17-13-5-3-2-4-12(13)15(11)19/h2-5H,6-10H2,1H3,(H,17,19)
InChIKeyNNAYMKIWFQKWRG-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.81
Rot. Bonds2

About (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate

(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate (PubChem CID 59527158) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate
PubChem CID59527158
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate
SMILESCc1c(COC(=O)N2CCOCC2)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N2O4/c1-11-14(10-22-16(20)18-6-8-21-9-7-18)17-13-5-3-2-4-12(13)15(11)19/h2-5H,6-10H2,1H3,(H,17,19)
InChIKeyNNAYMKIWFQKWRG-UHFFFAOYSA-N
XLogP1.81
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate?
The IUPAC name of (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate (CID 59527158) is (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate.
What is the SMILES notation for (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate?
The canonical SMILES for (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate is Cc1c(COC(=O)N2CCOCC2)[nH]c2ccccc2c1=O.
What is the InChIKey of (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate?
The InChIKey is NNAYMKIWFQKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-14(10-22-16(20)18-6-8-21-9-7-18)17-13-5-3-2-4-12(13)15(11)19/h2-5H,6-10H2,1H3,(H,17,19).
What are the key properties of (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate?
(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate is sourced from PubChem (CID 59527158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).