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

C12H10Br2N2O2 — CID 86067596

IUPAC2,4-dibromo-6-nitro-3-propan-2-ylquinoline
SMILESCC(C)c1c(Br)nc2ccc([N+](=O)[O-])cc2c1Br
InChIInChI=1S/C12H10Br2N2O2/c1-6(2)10-11(13)8-5-7(16(17)18)3-4-9(8)15-12(10)14/h3-6H,1-2H3
InChIKeySMWCQRSDOQVPDG-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.79
Rot. Bonds2

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

2,4-dibromo-6-nitro-3-propan-2-ylquinoline (PubChem CID 86067596) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 2,4-dibromo-6-nitro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2,4-dibromo-6-nitro-3-propan-2-ylquinoline
PubChem CID86067596
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name2,4-dibromo-6-nitro-3-propan-2-ylquinoline
SMILESCC(C)c1c(Br)nc2ccc([N+](=O)[O-])cc2c1Br
InChIInChI=1S/C12H10Br2N2O2/c1-6(2)10-11(13)8-5-7(16(17)18)3-4-9(8)15-12(10)14/h3-6H,1-2H3
InChIKeySMWCQRSDOQVPDG-UHFFFAOYSA-N
XLogP4.79
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.79
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-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
2,4-dichloro-6-nitroquinazoline
CID 12703366
4-bromo-6-nitro-3-phenylcinnoline
CID 15194096
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
1,3-dimethyl-5-nitro-2-propan-2-ylbenzene
CID 58451641
3-(2-methoxyethyl)-6-nitro-2-propan-2-ylquinazolin-4-one
CID 162429417
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
1-(5-nitroindazol-2-yl)ethanamine
CID 162721802
2-(1-chloroethyl)-6-nitro-1,3-benzothiazole
CID 119093085
2-(chloromethyl)-4-methyl-6-nitroquinoline
CID 139719779

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-nitro-3-propan-2-ylquinoline?
The IUPAC name of 2,4-dibromo-6-nitro-3-propan-2-ylquinoline (CID 86067596) is 2,4-dibromo-6-nitro-3-propan-2-ylquinoline.
What is the SMILES notation for 2,4-dibromo-6-nitro-3-propan-2-ylquinoline?
The canonical SMILES for 2,4-dibromo-6-nitro-3-propan-2-ylquinoline is CC(C)c1c(Br)nc2ccc([N+](=O)[O-])cc2c1Br.
What is the InChIKey of 2,4-dibromo-6-nitro-3-propan-2-ylquinoline?
The InChIKey is SMWCQRSDOQVPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/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-dibromo-6-nitro-3-propan-2-ylquinoline?
2,4-dibromo-6-nitro-3-propan-2-ylquinoline has a molecular weight of 374.03 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-nitro-3-propan-2-ylquinoline is sourced from PubChem (CID 86067596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).