2,4-dichloro-6-nitro-3-propan-2-ylquinoline

C12H10Cl2N2O2 — CID 86067568

IUPAC2,4-dichloro-6-nitro-3-propan-2-ylquinoline
SMILESCC(C)c1c(Cl)nc2ccc([N+](=O)[O-])cc2c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-6(2)10-11(13)8-5-7(16(17)18)3-4-9(8)15-12(10)14/h3-6H,1-2H3
InChIKeyMDTFSIJUSMOFBA-UHFFFAOYSA-N
MW285.13 g/mol
LogP4.57
Rot. Bonds2

About 2,4-dichloro-6-nitro-3-propan-2-ylquinoline

2,4-dichloro-6-nitro-3-propan-2-ylquinoline (PubChem CID 86067568) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2,4-dichloro-6-nitro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2,4-dichloro-6-nitro-3-propan-2-ylquinoline
PubChem CID86067568
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2,4-dichloro-6-nitro-3-propan-2-ylquinoline
SMILESCC(C)c1c(Cl)nc2ccc([N+](=O)[O-])cc2c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-6(2)10-11(13)8-5-7(16(17)18)3-4-9(8)15-12(10)14/h3-6H,1-2H3
InChIKeyMDTFSIJUSMOFBA-UHFFFAOYSA-N
XLogP4.57
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4-dibromo-6-nitro-3-propan-2-ylquinoline
CID 86067596
2,4-dichloro-6-nitroquinazoline
CID 12703366
1-(2-chloro-6-nitro-4-phenylquinolin-3-yl)ethanone
CID 4014836
1,4-dichloro-6-nitrophthalazine
CID 10800302
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-(chloromethyl)-4-methyl-6-nitroquinoline
CID 139719779
2-(1-chloroethyl)-6-nitro-1,3-benzothiazole
CID 119093085
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
2,4-dichloro-7-nitroquinazoline
CID 12703362
(2-chloro-6-nitroquinolin-3-yl) formate
CID 174977503
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-nitro-3-propan-2-ylquinoline?
The IUPAC name of 2,4-dichloro-6-nitro-3-propan-2-ylquinoline (CID 86067568) is 2,4-dichloro-6-nitro-3-propan-2-ylquinoline.
What is the SMILES notation for 2,4-dichloro-6-nitro-3-propan-2-ylquinoline?
The canonical SMILES for 2,4-dichloro-6-nitro-3-propan-2-ylquinoline is CC(C)c1c(Cl)nc2ccc([N+](=O)[O-])cc2c1Cl.
What is the InChIKey of 2,4-dichloro-6-nitro-3-propan-2-ylquinoline?
The InChIKey is MDTFSIJUSMOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-6(2)10-11(13)8-5-7(16(17)18)3-4-9(8)15-12(10)14/h3-6H,1-2H3.
What are the key properties of 2,4-dichloro-6-nitro-3-propan-2-ylquinoline?
2,4-dichloro-6-nitro-3-propan-2-ylquinoline has a molecular weight of 285.13 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-nitro-3-propan-2-ylquinoline is sourced from PubChem (CID 86067568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).