oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C21H24N2O4 — CID 2863506

IUPACoxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H24N2O4/c1-13-18(21(25)27-12-15-4-3-11-26-15)19(14-7-9-22-10-8-14)20-16(23-13)5-2-6-17(20)24/h7-10,15,19,23H,2-6,11-12H2,1H3
InChIKeyKWSACYXBMDOFEG-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.77
Rot. Bonds4

About oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2863506) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2863506
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameoxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H24N2O4/c1-13-18(21(25)27-12-15-4-3-11-26-15)19(14-7-9-22-10-8-14)20-16(23-13)5-2-6-17(20)24/h7-10,15,19,23H,2-6,11-12H2,1H3
InChIKeyKWSACYXBMDOFEG-UHFFFAOYSA-N
XLogP2.77
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2863506) is oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CCCC2=O)N1.
What is the InChIKey of oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is KWSACYXBMDOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-18(21(25)27-12-15-4-3-11-26-15)19(14-7-9-22-10-8-14)20-16(23-13)5-2-6-17(20)24/h7-10,15,19,23H,2-6,11-12H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2863506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).