2,4,7-trichloro-6-methoxy-3-nitroquinoline

C10H5Cl3N2O3 — CID 97181891

IUPAC2,4,7-trichloro-6-methoxy-3-nitroquinoline
SMILESCOc1cc2c(Cl)c([N+](=O)[O-])c(Cl)nc2cc1Cl
InChIInChI=1S/C10H5Cl3N2O3/c1-18-7-2-4-6(3-5(7)11)14-10(13)9(8(4)12)15(16)17/h2-3H,1H3
InChIKeyDQHXWSUCKDCSJL-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.11
Rot. Bonds2

About 2,4,7-trichloro-6-methoxy-3-nitroquinoline

2,4,7-trichloro-6-methoxy-3-nitroquinoline (PubChem CID 97181891) has the molecular formula C10H5Cl3N2O3 and a molecular weight of 307.52 g/mol. Its IUPAC name is 2,4,7-trichloro-6-methoxy-3-nitroquinoline.

Molecular Properties

Compound Name2,4,7-trichloro-6-methoxy-3-nitroquinoline
PubChem CID97181891
Molecular FormulaC10H5Cl3N2O3
Molecular Weight307.52 g/mol
Exact Mass305.94
IUPAC Name2,4,7-trichloro-6-methoxy-3-nitroquinoline
SMILESCOc1cc2c(Cl)c([N+](=O)[O-])c(Cl)nc2cc1Cl
InChIInChI=1S/C10H5Cl3N2O3/c1-18-7-2-4-6(3-5(7)11)14-10(13)9(8(4)12)15(16)17/h2-3H,1H3
InChIKeyDQHXWSUCKDCSJL-UHFFFAOYSA-N
XLogP4.11
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
CID 103996648
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
2-chloro-6-methoxy-4-methyl-3-nitropyridine
CID 146235051
7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid
CID 84642722
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
4-chloro-2-(3-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589452
9-chloro-5-methoxy-3-nitroacridine
CID 10708528
7-chloro-6-methoxy-4-methyl-8-nitroquinoline
CID 619863
1,5-dichloro-2-methoxy-3,4-dinitrobenzene
CID 154201735
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
CID 145204236

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trichloro-6-methoxy-3-nitroquinoline?
The IUPAC name of 2,4,7-trichloro-6-methoxy-3-nitroquinoline (CID 97181891) is 2,4,7-trichloro-6-methoxy-3-nitroquinoline.
What is the SMILES notation for 2,4,7-trichloro-6-methoxy-3-nitroquinoline?
The canonical SMILES for 2,4,7-trichloro-6-methoxy-3-nitroquinoline is COc1cc2c(Cl)c([N+](=O)[O-])c(Cl)nc2cc1Cl.
What is the InChIKey of 2,4,7-trichloro-6-methoxy-3-nitroquinoline?
The InChIKey is DQHXWSUCKDCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O3/c1-18-7-2-4-6(3-5(7)11)14-10(13)9(8(4)12)15(16)17/h2-3H,1H3.
What are the key properties of 2,4,7-trichloro-6-methoxy-3-nitroquinoline?
2,4,7-trichloro-6-methoxy-3-nitroquinoline has a molecular weight of 307.52 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trichloro-6-methoxy-3-nitroquinoline is sourced from PubChem (CID 97181891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).