(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone

C16H12N4O — CID 175114331

IUPAC(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C16H12N4O/c1-10-15(13-4-2-3-5-14(13)18-10)16(21)11-6-8-12(9-7-11)19-20-17/h2-9,18H,1H3
InChIKeyXFEKGHQTRURVHY-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.65
Rot. Bonds3

About (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone

(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 175114331) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID175114331
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C16H12N4O/c1-10-15(13-4-2-3-5-14(13)18-10)16(21)11-6-8-12(9-7-11)19-20-17/h2-9,18H,1H3
InChIKeyXFEKGHQTRURVHY-UHFFFAOYSA-N
XLogP4.65
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
CID 170645728
CID 170645728
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
1-(4-azidophenyl)-2-phenylethane-1,2-dione;1-phenylethanone
CID 89499579
(5-bromofuran-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 43463185
ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone
CID 161168956

Frequently Asked Questions

What is the IUPAC name of (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone (CID 175114331) is (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is XFEKGHQTRURVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-15(13-4-2-3-5-14(13)18-10)16(21)11-6-8-12(9-7-11)19-20-17/h2-9,18H,1H3.
What are the key properties of (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone?
(4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 276.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 175114331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).