2-(chloromethyl)-4-methyl-6-nitroquinoline

C11H9ClN2O2 — CID 139719779

IUPAC2-(chloromethyl)-4-methyl-6-nitroquinoline
SMILESCc1cc(CCl)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H9ClN2O2/c1-7-4-8(6-12)13-11-3-2-9(14(15)16)5-10(7)11/h2-5H,6H2,1H3
InChIKeyPBQAGAHXUBYVHZ-UHFFFAOYSA-N
MW236.66 g/mol
LogP3.19
Rot. Bonds2

About 2-(chloromethyl)-4-methyl-6-nitroquinoline

2-(chloromethyl)-4-methyl-6-nitroquinoline (PubChem CID 139719779) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-6-nitroquinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-6-nitroquinoline
PubChem CID139719779
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(chloromethyl)-4-methyl-6-nitroquinoline
SMILESCc1cc(CCl)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H9ClN2O2/c1-7-4-8(6-12)13-11-3-2-9(14(15)16)5-10(7)11/h2-5H,6H2,1H3
InChIKeyPBQAGAHXUBYVHZ-UHFFFAOYSA-N
XLogP3.19
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(chloromethyl)-6,8-dimethylquinoline;2-(chloromethyl)-6-nitroquinoline
CID 67936345
2-(chloromethyl)-6-nitro-3H-quinazolin-4-one
CID 135932529
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-6-nitroquinoline
CID 4114263
2,4-dichloro-6-nitroquinazoline
CID 12703366
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
2-chloro-6-nitro-4-propoxyquinoline
CID 155587986
3-benzyl-2-methyl-6-nitroquinazolin-4-one
CID 1463484
2,4-diethyl-6-nitro-3-propylquinoline
CID 125452460
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-6-nitroquinoline?
The IUPAC name of 2-(chloromethyl)-4-methyl-6-nitroquinoline (CID 139719779) is 2-(chloromethyl)-4-methyl-6-nitroquinoline.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-6-nitroquinoline?
The canonical SMILES for 2-(chloromethyl)-4-methyl-6-nitroquinoline is Cc1cc(CCl)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-(chloromethyl)-4-methyl-6-nitroquinoline?
The InChIKey is PBQAGAHXUBYVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-4-8(6-12)13-11-3-2-9(14(15)16)5-10(7)11/h2-5H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methyl-6-nitroquinoline?
2-(chloromethyl)-4-methyl-6-nitroquinoline has a molecular weight of 236.66 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-6-nitroquinoline is sourced from PubChem (CID 139719779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).