2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide

C23H22BrClN4O — CID 18729561

IUPAC2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide
SMILESCNCCN(C)C(=O)c1cc(-c2cn(C)c3ccc(Br)cc23)nc2cc(Cl)ccc12
InChIInChI=1S/C23H22BrClN4O/c1-26-8-9-28(2)23(30)18-12-21(27-20-11-15(25)5-6-16(18)20)19-13-29(3)22-7-4-14(24)10-17(19)22/h4-7,10-13,26H,8-9H2,1-3H3
InChIKeyQVLHKTWYEBOWLZ-UHFFFAOYSA-N
MW485.81 g/mol
LogP5.10
Rot. Bonds5

About 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide

2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide (PubChem CID 18729561) has the molecular formula C23H22BrClN4O and a molecular weight of 485.81 g/mol. Its IUPAC name is 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide
PubChem CID18729561
Molecular FormulaC23H22BrClN4O
Molecular Weight485.81 g/mol
Exact Mass484.07
IUPAC Name2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide
SMILESCNCCN(C)C(=O)c1cc(-c2cn(C)c3ccc(Br)cc23)nc2cc(Cl)ccc12
InChIInChI=1S/C23H22BrClN4O/c1-26-8-9-28(2)23(30)18-12-21(27-20-11-15(25)5-6-16(18)20)19-13-29(3)22-7-4-14(24)10-17(19)22/h4-7,10-13,26H,8-9H2,1-3H3
InChIKeyQVLHKTWYEBOWLZ-UHFFFAOYSA-N
XLogP5.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.81
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide
CID 18729956
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-7-iodoquinoline-4-carboxamide
CID 18729833
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-6-iodoquinoline-4-carboxamide
CID 18729870
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
6-(2,4-dichlorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790626
N-[3-[bis(methylsulfonyl)amino]propyl]-7-chloro-2-phenylquinoline-4-carboxamide;hydrochloride
CID 90462549
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide (CID 18729561) is 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide is CNCCN(C)C(=O)c1cc(-c2cn(C)c3ccc(Br)cc23)nc2cc(Cl)ccc12.
What is the InChIKey of 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is QVLHKTWYEBOWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN4O/c1-26-8-9-28(2)23(30)18-12-21(27-20-11-15(25)5-6-16(18)20)19-13-29(3)22-7-4-14(24)10-17(19)22/h4-7,10-13,26H,8-9H2,1-3H3.
What are the key properties of 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide?
2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 485.81 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylindol-3-yl)-7-chloro-N-methyl-N-[2-(methylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 18729561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).