(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate

C19H17NO5 — CID 7648306

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc(C)nc3ccccc23)oc1C
InChIInChI=1S/C19H17NO5/c1-11-8-16(14-6-4-5-7-17(14)20-11)19(22)24-10-13-9-15(12(2)25-13)18(21)23-3/h4-9H,10H2,1-3H3
InChIKeyCDOBZRBGGOPDGO-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.59
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 7648306) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate
PubChem CID7648306
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc(C)nc3ccccc23)oc1C
InChIInChI=1S/C19H17NO5/c1-11-8-16(14-6-4-5-7-17(14)20-11)19(22)24-10-13-9-15(12(2)25-13)18(21)23-3/h4-9H,10H2,1-3H3
InChIKeyCDOBZRBGGOPDGO-UHFFFAOYSA-N
XLogP3.59
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Methoxycarbonylphenyl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 2528798
4-Oxo-7-[3-(quinolin-2-ylmethoxy)-phenoxymethyl]-chroman-2-carboxylic acid ethyl ester
CID 44292483
(2-Oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 2998570
(2-Oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate
CID 2999115
(2-Oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 3690908
2-Tert-butoxy-2-[4-(3-furyl)-2-methyl-3-quinolyl]acetic acid
CID 145991055
(2-Oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 3962062
Furo(3,2-c)quinoline, 4-methyl-2-(1-(1-methylethoxy)ethyl)-
CID 13157280
Furo(3,2-c)quinoline, 4-methyl-2-(1-(2-methylpropoxy)ethyl)-
CID 13157281
Furo(3,2-c)quinoline, 2-(1-butoxyethyl)-4-methyl-
CID 13157282
Furo(3,2-c)quinoline, 4-methyl-2-(1-(3-methylbutoxy)ethyl)-
CID 13157283
Furo(3,2-c)quinoline, 8-methoxy-2-(1-methoxyethyl)-4-methyl-
CID 13157293

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate (CID 7648306) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate is COC(=O)c1cc(COC(=O)c2cc(C)nc3ccccc23)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is CDOBZRBGGOPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-8-16(14-6-4-5-7-17(14)20-11)19(22)24-10-13-9-15(12(2)25-13)18(21)23-3/h4-9H,10H2,1-3H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 7648306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).