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

C23H21ClN2O3 — CID 58859796

IUPACN-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C23H21ClN2O3/c1-15-14-21(26(16(2)27)18-11-9-17(24)10-12-18)19-6-3-4-7-20(19)25(15)23(28)22-8-5-13-29-22/h3-13,15,21H,14H2,1-2H3
InChIKeyUOOJNWYWYHKHFB-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.47
Rot. Bonds3

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

N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 58859796) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID58859796
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C23H21ClN2O3/c1-15-14-21(26(16(2)27)18-11-9-17(24)10-12-18)19-6-3-4-7-20(19)25(15)23(28)22-8-5-13-29-22/h3-13,15,21H,14H2,1-2H3
InChIKeyUOOJNWYWYHKHFB-UHFFFAOYSA-N
XLogP5.47
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 58859938
N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 76613782
N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
CID 29400498
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylfuran-2-carboxamide
CID 131726425
N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide
CID 11574452
ethyl 2-[[5-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-1,2-oxazol-3-yl]oxy]acetate
CID 86601698
N-[1-[4-(3-aminopropoxy)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 68921537
3-[[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]methyl]benzoic acid
CID 68921381
N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
N-[(2S,4R)-1-[4-(1,3-benzothiazol-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 58860007
4-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]cyclohexane-1-carboxylic acid
CID 68921611
N-[1-(3,4-difluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859677

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 58859796) is N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is UOOJNWYWYHKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-14-21(26(16(2)27)18-11-9-17(24)10-12-18)19-6-3-4-7-20(19)25(15)23(28)22-8-5-13-29-22/h3-13,15,21H,14H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 408.89 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 58859796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).