N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide

C24H25N3O2S — CID 1440378

IUPACN-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1
InChIInChI=1S/C24H25N3O2S/c1-3-22(28)25-19-7-9-20(10-8-19)26-23(29)14-30-24-15(2)11-18-12-16-5-4-6-17(16)13-21(18)27-24/h7-13H,3-6,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAHIVUAHQJLBMHL-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.11
Rot. Bonds6

About N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide

N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide (PubChem CID 1440378) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
PubChem CID1440378
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1
InChIInChI=1S/C24H25N3O2S/c1-3-22(28)25-19-7-9-20(10-8-19)26-23(29)14-30-24-15(2)11-18-12-16-5-4-6-17(16)13-21(18)27-24/h7-13H,3-6,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAHIVUAHQJLBMHL-UHFFFAOYSA-N
XLogP5.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide with MolForge

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Related Compounds

N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 1440387
N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1171958
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1173508
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1154238
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 43811402
4-(3,6-dimethylquinolin-2-yl)sulfanyl-3-oxo-N-phenylbutanamide
CID 1162938

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide (CID 1440378) is N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1.
What is the InChIKey of N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
The InChIKey is AHIVUAHQJLBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-3-22(28)25-19-7-9-20(10-8-19)26-23(29)14-30-24-15(2)11-18-12-16-5-4-6-17(16)13-21(18)27-24/h7-13H,3-6,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 1440378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).