(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone

C19H17N3O3 — CID 37162521

IUPAC(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2c1C
InChIInChI=1S/C19H17N3O3/c1-11-12(2)20-17-6-4-14(9-16(11)17)19(23)21-8-7-13-3-5-15(22(24)25)10-18(13)21/h3-6,9-10,20H,7-8H2,1-2H3
InChIKeyLCGGMWRODCBTJM-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.90
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone

(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 37162521) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID37162521
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2c1C
InChIInChI=1S/C19H17N3O3/c1-11-12(2)20-17-6-4-14(9-16(11)17)19(23)21-8-7-13-3-5-15(22(24)25)10-18(13)21/h3-6,9-10,20H,7-8H2,1-2H3
InChIKeyLCGGMWRODCBTJM-UHFFFAOYSA-N
XLogP3.90
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
CID 71900043
(6-nitro-2,3-dihydroindol-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 16582546
N,N-diethyl-2-methyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55483239
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791
N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161902
(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 16582545
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 37162521) is (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone is Cc1[nH]c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LCGGMWRODCBTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-12(2)20-17-6-4-14(9-16(11)17)19(23)21-8-7-13-3-5-15(22(24)25)10-18(13)21/h3-6,9-10,20H,7-8H2,1-2H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone?
(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 335.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 37162521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).