(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone

C27H21BrN2O — CID 15500836

IUPAC(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone
SMILESCCc1nc2c(cc1C(=O)c1ccc(Br)cc1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C27H21BrN2O/c1-2-24-23(26(31)19-12-14-20(28)15-13-19)16-22-21-10-6-7-11-25(21)30(27(22)29-24)17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3
InChIKeyORXILLRKAOHWPN-UHFFFAOYSA-N
MW469.38 g/mol
LogP6.79
Rot. Bonds5

About (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone

(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone (PubChem CID 15500836) has the molecular formula C27H21BrN2O and a molecular weight of 469.38 g/mol. Its IUPAC name is (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone
PubChem CID15500836
Molecular FormulaC27H21BrN2O
Molecular Weight469.38 g/mol
Exact Mass468.08
IUPAC Name(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone
SMILESCCc1nc2c(cc1C(=O)c1ccc(Br)cc1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C27H21BrN2O/c1-2-24-23(26(31)19-12-14-20(28)15-13-19)16-22-21-10-6-7-11-25(21)30(27(22)29-24)17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3
InChIKeyORXILLRKAOHWPN-UHFFFAOYSA-N
XLogP6.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone 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

[2-ethyl-9-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrido[2,3-b]indol-3-yl]-(4-methoxyphenyl)methanone
CID 11202117
9-benzyl-2-bromocarbazole
CID 123133636
ethyl 9-benzyl-2-piperidin-1-ylpyrido[2,3-b]indole-3-carboxylate
CID 57229550
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929809
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
9-benzyl-1-propylpyrido[3,4-b]indole-3-carboxylic acid
CID 11314575
(9-benzylpyrido[2,3-b]indol-3-yl)methanol
CID 127028086
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
CID 134910716
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone?
The IUPAC name of (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone (CID 15500836) is (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone is CCc1nc2c(cc1C(=O)c1ccc(Br)cc1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone?
The InChIKey is ORXILLRKAOHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O/c1-2-24-23(26(31)19-12-14-20(28)15-13-19)16-22-21-10-6-7-11-25(21)30(27(22)29-24)17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3.
What are the key properties of (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone?
(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone has a molecular weight of 469.38 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 15500836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).