N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C22H18N2O3 — CID 1221752

IUPACN-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1
InChIInChI=1S/C22H18N2O3/c1-14-7-12-21(27-14)20-13-18(17-5-3-4-6-19(17)24-20)22(25)23-15-8-10-16(26-2)11-9-15/h3-13H,1-2H3,(H,23,25)
InChIKeyPHTBAUCMXIYRJD-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.06
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 1221752) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID1221752
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1
InChIInChI=1S/C22H18N2O3/c1-14-7-12-21(27-14)20-13-18(17-5-3-4-6-19(17)24-20)22(25)23-15-8-10-16(26-2)11-9-15/h3-13H,1-2H3,(H,23,25)
InChIKeyPHTBAUCMXIYRJD-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 1221752) is N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is PHTBAUCMXIYRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-7-12-21(27-14)20-13-18(17-5-3-4-6-19(17)24-20)22(25)23-15-8-10-16(26-2)11-9-15/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1221752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).