N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide

C21H18N2O3 — CID 3237939

IUPACN-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1
InChIInChI=1S/C21H18N2O3/c1-12-4-6-14-10-15-11-19(26-21(15)23-16(14)8-12)20(24)22-17-9-13(2)5-7-18(17)25-3/h4-11H,1-3H3,(H,22,24)
InChIKeyPXTKDHIZCVOIRQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.86
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide

N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 3237939) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
PubChem CID3237939
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1
InChIInChI=1S/C21H18N2O3/c1-12-4-6-14-10-15-11-19(26-21(15)23-16(14)8-12)20(24)22-17-9-13(2)5-7-18(17)25-3/h4-11H,1-3H3,(H,22,24)
InChIKeyPXTKDHIZCVOIRQ-UHFFFAOYSA-N
XLogP4.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide (CID 3237939) is N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is PXTKDHIZCVOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-12-4-6-14-10-15-11-19(26-21(15)23-16(14)8-12)20(24)22-17-9-13(2)5-7-18(17)25-3/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3237939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).