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

C22H18N2O3 — CID 648038

IUPACN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N2O3/c1-15-8-10-17(11-9-15)24(22(26)20-7-4-12-27-20)14-16-13-21(25)23-19-6-3-2-5-18(16)19/h2-13H,14H2,1H3,(H,23,25)
InChIKeyMVBVKLMVDYXYQQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.28
Rot. Bonds4

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

N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide (PubChem CID 648038) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
PubChem CID648038
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N2O3/c1-15-8-10-17(11-9-15)24(22(26)20-7-4-12-27-20)14-16-13-21(25)23-19-6-3-2-5-18(16)19/h2-13H,14H2,1H3,(H,23,25)
InChIKeyMVBVKLMVDYXYQQ-UHFFFAOYSA-N
XLogP4.28
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide (CID 648038) is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide is Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is MVBVKLMVDYXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15-8-10-17(11-9-15)24(22(26)20-7-4-12-27-20)14-16-13-21(25)23-19-6-3-2-5-18(16)19/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide?
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 648038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).