N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide

C25H26N2O2S — CID 25207173

IUPACN-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccs3)ccc21
InChIInChI=1S/C25H26N2O2S/c1-18(28)27-15-14-25(2,19-7-4-3-5-8-19)22-17-20(10-12-23(22)27)26-24(29)13-11-21-9-6-16-30-21/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,26,29)
InChIKeyZDAMKKOVNPCUOF-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.38
Rot. Bonds5

About N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide

N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide (PubChem CID 25207173) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide
PubChem CID25207173
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccs3)ccc21
InChIInChI=1S/C25H26N2O2S/c1-18(28)27-15-14-25(2,19-7-4-3-5-8-19)22-17-20(10-12-23(22)27)26-24(29)13-11-21-9-6-16-30-21/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,26,29)
InChIKeyZDAMKKOVNPCUOF-UHFFFAOYSA-N
XLogP5.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-acetyl-6-(hexanoylamino)-4-methyl-2,3-dihydroquinolin-4-yl]phenyl]carbamic acid
CID 123680159
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
(3-chloro-4-fluorophenyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
CID 25207499
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-phenylpropanamide
CID 110639899
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 110303648
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
CID 75482522
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide (CID 25207173) is N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide is CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccs3)ccc21.
What is the InChIKey of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is ZDAMKKOVNPCUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-18(28)27-15-14-25(2,19-7-4-3-5-8-19)22-17-20(10-12-23(22)27)26-24(29)13-11-21-9-6-16-30-21/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide?
N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 418.56 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 25207173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).