methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate

C16H13NO4 — CID 53469334

IUPACmethyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c3cccnc23)o1
InChIInChI=1S/C16H13NO4/c1-19-12-6-5-11(15-10(12)4-3-9-17-15)13-7-8-14(21-13)16(18)20-2/h3-9H,1-2H3
InChIKeyHEKMVZSGAMFQEP-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.29
Rot. Bonds3

About methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate

methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate (PubChem CID 53469334) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
PubChem CID53469334
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c3cccnc23)o1
InChIInChI=1S/C16H13NO4/c1-19-12-6-5-11(15-10(12)4-3-9-17-15)13-7-8-14(21-13)16(18)20-2/h3-9H,1-2H3
InChIKeyHEKMVZSGAMFQEP-UHFFFAOYSA-N
XLogP3.29
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
methyl N-(5-methoxyquinolin-8-yl)-N-methylcarbamate
CID 139305519
CID 88936748
CID 88936748
methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate
CID 122714828
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
methyl 5-pyrimidin-4-ylfuran-2-carboxylate
CID 118477544
5-methoxy-1,7-phenanthroline
CID 67576947
methyl 5-(quinoline-6-carbonyl)furan-2-carboxylate
CID 106946573
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate (CID 53469334) is methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2ccc(OC)c3cccnc23)o1.
What is the InChIKey of methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate?
The InChIKey is HEKMVZSGAMFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-19-12-6-5-11(15-10(12)4-3-9-17-15)13-7-8-14(21-13)16(18)20-2/h3-9H,1-2H3.
What are the key properties of methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate?
methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate is sourced from PubChem (CID 53469334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).