N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide

C20H16N2O3 — CID 22582804

IUPACN-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1
InChIInChI=1S/C20H16N2O3/c1-12-3-4-13-10-14-11-18(25-20(14)22-17(13)9-12)19(23)21-15-5-7-16(24-2)8-6-15/h3-11H,1-2H3,(H,21,23)
InChIKeyKATBFHFABWWKTD-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.55
Rot. Bonds3

About N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide

N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 22582804) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
PubChem CID22582804
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1
InChIInChI=1S/C20H16N2O3/c1-12-3-4-13-10-14-11-18(25-20(14)22-17(13)9-12)19(23)21-15-5-7-16(24-2)8-6-15/h3-11H,1-2H3,(H,21,23)
InChIKeyKATBFHFABWWKTD-UHFFFAOYSA-N
XLogP4.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide (CID 22582804) is N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide is COc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is KATBFHFABWWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-3-4-13-10-14-11-18(25-20(14)22-17(13)9-12)19(23)21-15-5-7-16(24-2)8-6-15/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide?
N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 22582804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).