(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone

C18H11BrN2O — CID 53322389

IUPAC(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H11BrN2O/c19-12-7-5-11(6-8-12)18(22)17-16-14(9-10-20-17)13-3-1-2-4-15(13)21-16/h1-10,21H
InChIKeyKXGMOCGXJIAAOK-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.71
Rot. Bonds2

About (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone

(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (PubChem CID 53322389) has the molecular formula C18H11BrN2O and a molecular weight of 351.20 g/mol. Its IUPAC name is (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
PubChem CID53322389
Molecular FormulaC18H11BrN2O
Molecular Weight351.20 g/mol
Exact Mass350.01
IUPAC Name(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H11BrN2O/c19-12-7-5-11(6-8-12)18(22)17-16-14(9-10-20-17)13-3-1-2-4-15(13)21-16/h1-10,21H
InChIKeyKXGMOCGXJIAAOK-UHFFFAOYSA-N
XLogP4.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

FG-7142
CID 4375
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Fascaplysin
CID 73293
2-(4-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397610
Fascaplysine
CID 73292
Nictindole
CID 65796
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
1-(9H-beta-Carbolin-3-yl)ethan-1-one
CID 12789146
4-Bromo-benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135458690
Mls000737003
CID 5355550
6-Bromo-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-20-one chloride
CID 10430210
Di(1H-indol-3-yl)methanone
CID 12380289

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (CID 53322389) is (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is O=C(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The InChIKey is KXGMOCGXJIAAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O/c19-12-7-5-11(6-8-12)18(22)17-16-14(9-10-20-17)13-3-1-2-4-15(13)21-16/h1-10,21H.
What are the key properties of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone has a molecular weight of 351.20 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is sourced from PubChem (CID 53322389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).