methyl 4-(furan-2-yl)quinoline-7-carboxylate

C15H11NO3 — CID 71742561

IUPACmethyl 4-(furan-2-yl)quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(-c3ccco3)ccnc2c1
InChIInChI=1S/C15H11NO3/c1-18-15(17)10-4-5-11-12(14-3-2-8-19-14)6-7-16-13(11)9-10/h2-9H,1H3
InChIKeyOMBYBTYIHPAYAZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.28
Rot. Bonds2

About methyl 4-(furan-2-yl)quinoline-7-carboxylate

methyl 4-(furan-2-yl)quinoline-7-carboxylate (PubChem CID 71742561) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 4-(furan-2-yl)quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-2-yl)quinoline-7-carboxylate
PubChem CID71742561
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namemethyl 4-(furan-2-yl)quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(-c3ccco3)ccnc2c1
InChIInChI=1S/C15H11NO3/c1-18-15(17)10-4-5-11-12(14-3-2-8-19-14)6-7-16-13(11)9-10/h2-9H,1H3
InChIKeyOMBYBTYIHPAYAZ-UHFFFAOYSA-N
XLogP3.28
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate
CID 139001927
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate
CID 144590992
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 1-bromoisoquinoline-6-carboxylate
CID 82571453
methyl 4-(furan-2-yl)-3,5-dinitrobenzoate
CID 168528509
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 66779542
methyl phenazine-2-carboxylate
CID 617185

Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-yl)quinoline-7-carboxylate?
The IUPAC name of methyl 4-(furan-2-yl)quinoline-7-carboxylate (CID 71742561) is methyl 4-(furan-2-yl)quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-(furan-2-yl)quinoline-7-carboxylate?
The canonical SMILES for methyl 4-(furan-2-yl)quinoline-7-carboxylate is COC(=O)c1ccc2c(-c3ccco3)ccnc2c1.
What is the InChIKey of methyl 4-(furan-2-yl)quinoline-7-carboxylate?
The InChIKey is OMBYBTYIHPAYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-15(17)10-4-5-11-12(14-3-2-8-19-14)6-7-16-13(11)9-10/h2-9H,1H3.
What are the key properties of methyl 4-(furan-2-yl)quinoline-7-carboxylate?
methyl 4-(furan-2-yl)quinoline-7-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-yl)quinoline-7-carboxylate is sourced from PubChem (CID 71742561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).