2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide

C24H20ClN3O3 — CID 17472100

IUPAC2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H20ClN3O3/c1-28(15-23(29)26-14-18-5-4-12-31-18)24(30)20-13-22(16-8-10-17(25)11-9-16)27-21-7-3-2-6-19(20)21/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyNJBIOKFISXYJJU-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.54
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide

2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide (PubChem CID 17472100) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
PubChem CID17472100
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H20ClN3O3/c1-28(15-23(29)26-14-18-5-4-12-31-18)24(30)20-13-22(16-8-10-17(25)11-9-16)27-21-7-3-2-6-19(20)21/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyNJBIOKFISXYJJU-UHFFFAOYSA-N
XLogP4.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
CID 55638886
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2353574
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 17446948

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide (CID 17472100) is 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is NJBIOKFISXYJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-28(15-23(29)26-14-18-5-4-12-31-18)24(30)20-13-22(16-8-10-17(25)11-9-16)27-21-7-3-2-6-19(20)21/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 17472100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).