dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide

C26H27Cl2N5O4 — CID 91538711

IUPACdichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C)CC(=O)N(C)CC(=O)n1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc21.ClCCl
InChIInChI=1S/C25H25N5O4.CH2Cl2/c1-28(2)14-22(31)29(3)15-23(32)30-11-10-16-8-9-17(12-21(16)30)27-25(34)19-13-26-20-7-5-4-6-18(20)24(19)33;2-1-3/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,34);1H2
InChIKeyOJNLNXBRJQPNEB-UHFFFAOYSA-N
MW544.44 g/mol
LogP3.82
Rot. Bonds6

About dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide

dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 91538711) has the molecular formula C26H27Cl2N5O4 and a molecular weight of 544.44 g/mol. Its IUPAC name is dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Namedichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID91538711
Molecular FormulaC26H27Cl2N5O4
Molecular Weight544.44 g/mol
Exact Mass543.14
IUPAC Namedichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C)CC(=O)N(C)CC(=O)n1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc21.ClCCl
InChIInChI=1S/C25H25N5O4.CH2Cl2/c1-28(2)14-22(31)29(3)15-23(32)30-11-10-16-8-9-17(12-21(16)30)27-25(34)19-13-26-20-7-5-4-6-18(20)24(19)33;2-1-3/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,34);1H2
InChIKeyOJNLNXBRJQPNEB-UHFFFAOYSA-N
XLogP3.82
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66674873
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66676066
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 127254353
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
CID 126736396
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 39920536
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 91538711) is dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide is CN(C)CC(=O)N(C)CC(=O)n1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc21.ClCCl.
What is the InChIKey of dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OJNLNXBRJQPNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.CH2Cl2/c1-28(2)14-22(31)29(3)15-23(32)30-11-10-16-8-9-17(12-21(16)30)27-25(34)19-13-26-20-7-5-4-6-18(20)24(19)33;2-1-3/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,34);1H2.
What are the key properties of dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide?
dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 544.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91538711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).