(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone

C17H14N2O3 — CID 163878841

IUPAC(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
SMILESCc1cc(C(=O)c2cn(C)c3ccccc23)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N2O3/c1-11-9-12(7-8-15(11)19(21)22)17(20)14-10-18(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3
InChIKeyPRIGSCFENURBCJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.63
Rot. Bonds3

About (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone

(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone (PubChem CID 163878841) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
PubChem CID163878841
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
SMILESCc1cc(C(=O)c2cn(C)c3ccccc23)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N2O3/c1-11-9-12(7-8-15(11)19(21)22)17(20)14-10-18(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3
InChIKeyPRIGSCFENURBCJ-UHFFFAOYSA-N
XLogP3.63
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
[3-(hydroxymethyl)indol-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 91690830
(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
CID 170857089
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045
(2,4-dimethylphenyl)-(4-methyl-3-nitrophenyl)methanone
CID 886134
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776515
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone?
The IUPAC name of (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone (CID 163878841) is (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone.
What is the SMILES notation for (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone?
The canonical SMILES for (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone is Cc1cc(C(=O)c2cn(C)c3ccccc23)ccc1[N+](=O)[O-].
What is the InChIKey of (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone?
The InChIKey is PRIGSCFENURBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-9-12(7-8-15(11)19(21)22)17(20)14-10-18(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3.
What are the key properties of (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone?
(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone has a molecular weight of 294.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone is sourced from PubChem (CID 163878841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).