2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide

C23H18FN3O3 — CID 9079495

IUPAC2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C23H18FN3O3/c24-16-9-7-15(8-10-16)21-12-19(18-5-1-2-6-20(18)27-21)23(29)26-14-22(28)25-13-17-4-3-11-30-17/h1-12H,13-14H2,(H,25,28)(H,26,29)
InChIKeyQOCNTQDGMVJHBR-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide

2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 9079495) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
PubChem CID9079495
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C23H18FN3O3/c24-16-9-7-15(8-10-16)21-12-19(18-5-1-2-6-20(18)27-21)23(29)26-14-22(28)25-13-17-4-3-11-30-17/h1-12H,13-14H2,(H,25,28)(H,26,29)
InChIKeyQOCNTQDGMVJHBR-UHFFFAOYSA-N
XLogP3.68
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9080200
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30039321
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide (CID 9079495) is 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide is O=C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NCc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide?
The InChIKey is QOCNTQDGMVJHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-16-9-7-15(8-10-16)21-12-19(18-5-1-2-6-20(18)27-21)23(29)26-14-22(28)25-13-17-4-3-11-30-17/h1-12H,13-14H2,(H,25,28)(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 9079495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).