1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline

C19H18N2O2 — CID 15458742

IUPAC1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])ccc1-3
InChIInChI=1S/C19H18N2O2/c1-11-10-19(2,3)20-17-7-6-15-14-5-4-13(21(22)23)8-12(14)9-16(15)18(11)17/h4-8,10,20H,9H2,1-3H3
InChIKeyHTTJKVFBMIMANI-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.77
Rot. Bonds1

About 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline

1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline (PubChem CID 15458742) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline.

Molecular Properties

Compound Name1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline
PubChem CID15458742
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])ccc1-3
InChIInChI=1S/C19H18N2O2/c1-11-10-19(2,3)20-17-7-6-15-14-5-4-13(21(22)23)8-12(14)9-16(15)18(11)17/h4-8,10,20H,9H2,1-3H3
InChIKeyHTTJKVFBMIMANI-UHFFFAOYSA-N
XLogP4.77
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline?
The IUPAC name of 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline (CID 15458742) is 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline.
What is the SMILES notation for 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline?
The canonical SMILES for 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])ccc1-3.
What is the InChIKey of 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline?
The InChIKey is HTTJKVFBMIMANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-10-19(2,3)20-17-7-6-15-14-5-4-13(21(22)23)8-12(14)9-16(15)18(11)17/h4-8,10,20H,9H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline?
1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline has a molecular weight of 306.37 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-9-nitro-4,11-dihydroindeno[2,1-f]quinoline is sourced from PubChem (CID 15458742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).