dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate

C18H20N2O5 — CID 1480701

IUPACdimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate
SMILESCOC(=O)c1nc2ccc(N3CCOCC3)cc2c(C)c1C(=O)OC
InChIInChI=1S/C18H20N2O5/c1-11-13-10-12(20-6-8-25-9-7-20)4-5-14(13)19-16(18(22)24-3)15(11)17(21)23-2/h4-5,10H,6-9H2,1-3H3
InChIKeyGZYKYVFDQFJUKD-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.95
Rot. Bonds3

About dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate

dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate (PubChem CID 1480701) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate
PubChem CID1480701
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namedimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate
SMILESCOC(=O)c1nc2ccc(N3CCOCC3)cc2c(C)c1C(=O)OC
InChIInChI=1S/C18H20N2O5/c1-11-13-10-12(20-6-8-25-9-7-20)4-5-14(13)19-16(18(22)24-3)15(11)17(21)23-2/h4-5,10H,6-9H2,1-3H3
InChIKeyGZYKYVFDQFJUKD-UHFFFAOYSA-N
XLogP1.95
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate (CID 1480701) is dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate is COC(=O)c1nc2ccc(N3CCOCC3)cc2c(C)c1C(=O)OC.
What is the InChIKey of dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate?
The InChIKey is GZYKYVFDQFJUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-13-10-12(20-6-8-25-9-7-20)4-5-14(13)19-16(18(22)24-3)15(11)17(21)23-2/h4-5,10H,6-9H2,1-3H3.
What are the key properties of dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate?
dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-6-morpholin-4-ylquinoline-2,3-dicarboxylate is sourced from PubChem (CID 1480701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).