(4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C18H14BrClN2O — CID 113089797

IUPAC(4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCc2[nH]c3cc(Cl)ccc3c2C1
InChIInChI=1S/C18H14BrClN2O/c19-12-3-1-11(2-4-12)18(23)22-8-7-16-15(10-22)14-6-5-13(20)9-17(14)21-16/h1-6,9,21H,7-8,10H2
InChIKeyZZOFLQPUZNMXIS-UHFFFAOYSA-N
MW389.68 g/mol
LogP4.78
Rot. Bonds1

About (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

(4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 113089797) has the molecular formula C18H14BrClN2O and a molecular weight of 389.68 g/mol. Its IUPAC name is (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID113089797
Molecular FormulaC18H14BrClN2O
Molecular Weight389.68 g/mol
Exact Mass388.00
IUPAC Name(4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCc2[nH]c3cc(Cl)ccc3c2C1
InChIInChI=1S/C18H14BrClN2O/c19-12-3-1-11(2-4-12)18(23)22-8-7-16-15(10-22)14-6-5-13(20)9-17(14)21-16/h1-6,9,21H,7-8,10H2
InChIKeyZZOFLQPUZNMXIS-UHFFFAOYSA-N
XLogP4.78
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
2-Chlororutaecarpine
CID 135492463
2-(2-bromobenzoyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 1249789
[4-(3-chlorophenyl)piperazin-1-yl](5-methyl-1H-indol-2-yl)methanone
CID 3549432
[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 4970031
(6-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9965450
2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dipropyl-acetamide
CID 10067648
1-(4-chlorophenyl)-2-(3-cyclopentylpropanoyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16031104
2-(4-Bromobenzoyl)-1-(4-chlorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole
CID 22582711
2-benzoyl-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 46359963
(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 59429617
1'-[(6-chloro-1H-indol-3-yl)carbonyl]-1,2-dihydrospiro[indole-3,4'-piperidine]
CID 59657691

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 113089797) is (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is O=C(c1ccc(Br)cc1)N1CCc2[nH]c3cc(Cl)ccc3c2C1.
What is the InChIKey of (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is ZZOFLQPUZNMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O/c19-12-3-1-11(2-4-12)18(23)22-8-7-16-15(10-22)14-6-5-13(20)9-17(14)21-16/h1-6,9,21H,7-8,10H2.
What are the key properties of (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
(4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 389.68 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 113089797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).