N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide

C22H20N2O3 — CID 4247775

IUPACN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12
InChIInChI=1S/C22H20N2O3/c1-13-7-8-14(2)20-17(13)11-16(21(25)24-20)9-10-23-22(26)19-12-15-5-3-4-6-18(15)27-19/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPNQBWQGAZNKTER-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 4247775) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID4247775
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12
InChIInChI=1S/C22H20N2O3/c1-13-7-8-14(2)20-17(13)11-16(21(25)24-20)9-10-23-22(26)19-12-15-5-3-4-6-18(15)27-19/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPNQBWQGAZNKTER-UHFFFAOYSA-N
XLogP3.86
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide (CID 4247775) is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12.
What is the InChIKey of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is PNQBWQGAZNKTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-13-7-8-14(2)20-17(13)11-16(21(25)24-20)9-10-23-22(26)19-12-15-5-3-4-6-18(15)27-19/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4247775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).