N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide

C22H18N2O4 — CID 647621

IUPACN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-17-10-8-16(9-11-17)24(22(26)20-7-4-12-28-20)14-15-13-21(25)23-19-6-3-2-5-18(15)19/h2-13H,14H2,1H3,(H,23,25)
InChIKeyKEGYXOBTPFXVQX-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.98
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide

N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide (PubChem CID 647621) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
PubChem CID647621
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCOc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-17-10-8-16(9-11-17)24(22(26)20-7-4-12-28-20)14-15-13-21(25)23-19-6-3-2-5-18(15)19/h2-13H,14H2,1H3,(H,23,25)
InChIKeyKEGYXOBTPFXVQX-UHFFFAOYSA-N
XLogP3.98
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide (CID 647621) is N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide is COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is KEGYXOBTPFXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-17-10-8-16(9-11-17)24(22(26)20-7-4-12-28-20)14-15-13-21(25)23-19-6-3-2-5-18(15)19/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 647621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).