2,3,4-trimethyl-7-nitrobenzo[h]quinoline

C16H14N2O2 — CID 674336

IUPAC2,3,4-trimethyl-7-nitrobenzo[h]quinoline
SMILESCc1nc2c(ccc3c([N+](=O)[O-])cccc32)c(C)c1C
InChIInChI=1S/C16H14N2O2/c1-9-10(2)12-7-8-13-14(16(12)17-11(9)3)5-4-6-15(13)18(19)20/h4-8H,1-3H3
InChIKeyLZXHAAAQEFCVIP-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.22
Rot. Bonds1

About 2,3,4-trimethyl-7-nitrobenzo[h]quinoline

2,3,4-trimethyl-7-nitrobenzo[h]quinoline (PubChem CID 674336) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,3,4-trimethyl-7-nitrobenzo[h]quinoline.

Molecular Properties

Compound Name2,3,4-trimethyl-7-nitrobenzo[h]quinoline
PubChem CID674336
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2,3,4-trimethyl-7-nitrobenzo[h]quinoline
SMILESCc1nc2c(ccc3c([N+](=O)[O-])cccc32)c(C)c1C
InChIInChI=1S/C16H14N2O2/c1-9-10(2)12-7-8-13-14(16(12)17-11(9)3)5-4-6-15(13)18(19)20/h4-8H,1-3H3
InChIKeyLZXHAAAQEFCVIP-UHFFFAOYSA-N
XLogP4.22
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-7-nitrobenzo[h]quinoline?
The IUPAC name of 2,3,4-trimethyl-7-nitrobenzo[h]quinoline (CID 674336) is 2,3,4-trimethyl-7-nitrobenzo[h]quinoline.
What is the SMILES notation for 2,3,4-trimethyl-7-nitrobenzo[h]quinoline?
The canonical SMILES for 2,3,4-trimethyl-7-nitrobenzo[h]quinoline is Cc1nc2c(ccc3c([N+](=O)[O-])cccc32)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-7-nitrobenzo[h]quinoline?
The InChIKey is LZXHAAAQEFCVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-10(2)12-7-8-13-14(16(12)17-11(9)3)5-4-6-15(13)18(19)20/h4-8H,1-3H3.
What are the key properties of 2,3,4-trimethyl-7-nitrobenzo[h]quinoline?
2,3,4-trimethyl-7-nitrobenzo[h]quinoline has a molecular weight of 266.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-7-nitrobenzo[h]quinoline is sourced from PubChem (CID 674336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).