N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

C24H22N2O5 — CID 3283896

IUPACN-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(N(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=O)c2ccco2)cc1
InChIInChI=1S/C24H22N2O5/c1-3-30-19-10-7-18(8-11-19)26(24(28)22-5-4-12-31-22)15-17-13-16-6-9-20(29-2)14-21(16)25-23(17)27/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyBVNVAZDVDSSRKE-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.38
Rot. Bonds7

About N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 3283896) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
PubChem CID3283896
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(N(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=O)c2ccco2)cc1
InChIInChI=1S/C24H22N2O5/c1-3-30-19-10-7-18(8-11-19)26(24(28)22-5-4-12-31-22)15-17-13-16-6-9-20(29-2)14-21(16)25-23(17)27/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyBVNVAZDVDSSRKE-UHFFFAOYSA-N
XLogP4.38
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 3283896) is N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is CCOc1ccc(N(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=O)c2ccco2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is BVNVAZDVDSSRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-3-30-19-10-7-18(8-11-19)26(24(28)22-5-4-12-31-22)15-17-13-16-6-9-20(29-2)14-21(16)25-23(17)27/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3283896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).