N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide

C24H24N2O3 — CID 58859938

IUPACN-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)C1CC(C)N(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C24H24N2O3/c1-16-10-12-19(13-11-16)26(18(3)27)22-15-17(2)25(21-8-5-4-7-20(21)22)24(28)23-9-6-14-29-23/h4-14,17,22H,15H2,1-3H3
InChIKeyNBZPUFXXDAYJHQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.12
Rot. Bonds3

About N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide

N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 58859938) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID58859938
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)C1CC(C)N(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C24H24N2O3/c1-16-10-12-19(13-11-16)26(18(3)27)22-15-17(2)25(21-8-5-4-7-20(21)22)24(28)23-9-6-14-29-23/h4-14,17,22H,15H2,1-3H3
InChIKeyNBZPUFXXDAYJHQ-UHFFFAOYSA-N
XLogP5.12
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide (CID 58859938) is N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide is CC(=O)N(c1ccc(C)cc1)C1CC(C)N(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is NBZPUFXXDAYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-10-12-19(13-11-16)26(18(3)27)22-15-17(2)25(21-8-5-4-7-20(21)22)24(28)23-9-6-14-29-23/h4-14,17,22H,15H2,1-3H3.
What are the key properties of N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 58859938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).