5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide

C27H25N3O2S — CID 10366763

IUPAC5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide
SMILESCN(C)CCCn1c(=O)c2sc3cc(C(=O)Nc4ccccc4)ccc3c2c2ccccc21
InChIInChI=1S/C27H25N3O2S/c1-29(2)15-8-16-30-22-12-7-6-11-20(22)24-21-14-13-18(17-23(21)33-25(24)27(30)32)26(31)28-19-9-4-3-5-10-19/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31)
InChIKeyACMGIDBJZGMILS-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.57
Rot. Bonds6

About 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide

5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide (PubChem CID 10366763) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide
PubChem CID10366763
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide
SMILESCN(C)CCCn1c(=O)c2sc3cc(C(=O)Nc4ccccc4)ccc3c2c2ccccc21
InChIInChI=1S/C27H25N3O2S/c1-29(2)15-8-16-30-22-12-7-6-11-20(22)24-21-14-13-18(17-23(21)33-25(24)27(30)32)26(31)28-19-9-4-3-5-10-19/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31)
InChIKeyACMGIDBJZGMILS-UHFFFAOYSA-N
XLogP5.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 15308000
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
Dyrk1A/B-IN-1
CID 145946110
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzothiophene-2-carboxamide
CID 122183774
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052
8-Methyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 6622788
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902
5-Ethyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 20865361
5-Methyl-N-[3-(4-methylpiperazin-1-YL)propyl]-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5307923
N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 11671674

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide (CID 10366763) is 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide is CN(C)CCCn1c(=O)c2sc3cc(C(=O)Nc4ccccc4)ccc3c2c2ccccc21.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide?
The InChIKey is ACMGIDBJZGMILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-29(2)15-8-16-30-22-12-7-6-11-20(22)24-21-14-13-18(17-23(21)33-25(24)27(30)32)26(31)28-19-9-4-3-5-10-19/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31).
What are the key properties of 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide?
5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-6-oxo-N-phenyl-[1]benzothiolo[2,3-c]quinoline-9-carboxamide is sourced from PubChem (CID 10366763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).