N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

C22H18N2O3 — CID 2930581

IUPACN-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N2O3/c1-26-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-17-8-5-11-27-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyIIRHSHWCCKRCRN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 2930581) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID2930581
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N2O3/c1-26-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-17-8-5-11-27-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyIIRHSHWCCKRCRN-UHFFFAOYSA-N
XLogP4.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 2930581) is N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is IIRHSHWCCKRCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-17-8-5-11-27-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2930581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).