methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate

C22H22N2O4 — CID 134016262

IUPACmethyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2c3c(nc4ccccc24)CCC3)oc1C
InChIInChI=1S/C22H22N2O4/c1-13-17(22(26)27-3)11-14(28-13)12-24(2)21(25)20-15-7-4-5-9-18(15)23-19-10-6-8-16(19)20/h4-5,7,9,11H,6,8,10,12H2,1-3H3
InChIKeyXHTISQCRPHMUHU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.68
Rot. Bonds4

About methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 134016262) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID134016262
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Namemethyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2c3c(nc4ccccc24)CCC3)oc1C
InChIInChI=1S/C22H22N2O4/c1-13-17(22(26)27-3)11-14(28-13)12-24(2)21(25)20-15-7-4-5-9-18(15)23-19-10-6-8-16(19)20/h4-5,7,9,11H,6,8,10,12H2,1-3H3
InChIKeyXHTISQCRPHMUHU-UHFFFAOYSA-N
XLogP3.68
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21239923
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 166181806
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789225
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
4-[[[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019842
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 75401963
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 134016262) is methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2c3c(nc4ccccc24)CCC3)oc1C.
What is the InChIKey of methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is XHTISQCRPHMUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13-17(22(26)27-3)11-14(28-13)12-24(2)21(25)20-15-7-4-5-9-18(15)23-19-10-6-8-16(19)20/h4-5,7,9,11H,6,8,10,12H2,1-3H3.
What are the key properties of methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 134016262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).