(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate

C23H25NO5 — CID 2097589

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCc2cc(C(=O)OC)c(C)o2)c1CC
InChIInChI=1S/C23H25NO5/c1-5-9-19-16(6-2)21(17-10-7-8-11-20(17)24-19)23(26)28-13-15-12-18(14(3)29-15)22(25)27-4/h7-8,10-12H,5-6,9,13H2,1-4H3
InChIKeyVHNQMZJUSSBOBU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.79
Rot. Bonds7

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 2097589) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID2097589
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCc2cc(C(=O)OC)c(C)o2)c1CC
InChIInChI=1S/C23H25NO5/c1-5-9-19-16(6-2)21(17-10-7-8-11-20(17)24-19)23(26)28-13-15-12-18(14(3)29-15)22(25)27-4/h7-8,10-12H,5-6,9,13H2,1-4H3
InChIKeyVHNQMZJUSSBOBU-UHFFFAOYSA-N
XLogP4.79
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate (CID 2097589) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OCc2cc(C(=O)OC)c(C)o2)c1CC.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is VHNQMZJUSSBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-5-9-19-16(6-2)21(17-10-7-8-11-20(17)24-19)23(26)28-13-15-12-18(14(3)29-15)22(25)27-4/h7-8,10-12H,5-6,9,13H2,1-4H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.79, 7 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 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 2097589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).