N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide

C27H23BrN4O — CID 18729956

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCc3ccc(CN)cc3)c3ccccc3n2)c2cc(Br)ccc21
InChIInChI=1S/C27H23BrN4O/c1-32-16-23(21-12-19(28)10-11-26(21)32)25-13-22(20-4-2-3-5-24(20)31-25)27(33)30-15-18-8-6-17(14-29)7-9-18/h2-13,16H,14-15,29H2,1H3,(H,30,33)
InChIKeyFGRWUSWAWFEQLE-UHFFFAOYSA-N
MW499.41 g/mol
LogP5.54
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide (PubChem CID 18729956) has the molecular formula C27H23BrN4O and a molecular weight of 499.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide
PubChem CID18729956
Molecular FormulaC27H23BrN4O
Molecular Weight499.41 g/mol
Exact Mass498.11
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCc3ccc(CN)cc3)c3ccccc3n2)c2cc(Br)ccc21
InChIInChI=1S/C27H23BrN4O/c1-32-16-23(21-12-19(28)10-11-26(21)32)25-13-22(20-4-2-3-5-24(20)31-25)27(33)30-15-18-8-6-17(14-29)7-9-18/h2-13,16H,14-15,29H2,1H3,(H,30,33)
InChIKeyFGRWUSWAWFEQLE-UHFFFAOYSA-N
XLogP5.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-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-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-7-iodoquinoline-4-carboxamide
CID 18729833
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274
N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide
CID 18729967
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-6-iodoquinoline-4-carboxamide
CID 18729870
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-thiophen-3-ylquinoline-4-carboxamide
CID 18729972
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729975
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxamide
CID 18729915
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide (CID 18729956) is N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide is Cn1cc(-c2cc(C(=O)NCc3ccc(CN)cc3)c3ccccc3n2)c2cc(Br)ccc21.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide?
The InChIKey is FGRWUSWAWFEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN4O/c1-32-16-23(21-12-19(28)10-11-26(21)32)25-13-22(20-4-2-3-5-24(20)31-25)27(33)30-15-18-8-6-17(14-29)7-9-18/h2-13,16H,14-15,29H2,1H3,(H,30,33).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide has a molecular weight of 499.41 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 18729956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).