6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine

C12H16BrN3O2 — CID 70062965

IUPAC6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine
SMILESCCCN1CC(N)Cc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C12H16BrN3O2/c1-2-3-15-7-10(14)5-8-4-9(13)6-11(12(8)15)16(17)18/h4,6,10H,2-3,5,7,14H2,1H3
InChIKeyIHZFHXFIJTWEPE-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.46
Rot. Bonds3

About 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine

6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 70062965) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine
PubChem CID70062965
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine
SMILESCCCN1CC(N)Cc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C12H16BrN3O2/c1-2-3-15-7-10(14)5-8-4-9(13)6-11(12(8)15)16(17)18/h4,6,10H,2-3,5,7,14H2,1H3
InChIKeyIHZFHXFIJTWEPE-UHFFFAOYSA-N
XLogP2.46
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-ethyl-7-nitro-2,3-dihydroindole
CID 10564019
4-amino-1-(4-bromo-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168699881
[1-(4-bromo-2-chloro-6-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682354
1-(4-bromo-2-nitrophenyl)azetidin-3-amine
CID 65250097
6-bromo-8-nitro-N-propyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 19919337
1-(4-bromo-2-nitrophenyl)-3-ethylpiperidin-4-amine
CID 81459176
[1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676868
S-[[1-(4-bromo-2-chloro-6-nitrophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668029
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
4-(aminomethyl)-1-(2-bromo-4-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168659834
1-(4-bromo-2-methyl-6-nitrophenyl)piperidine
CID 151284245
1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697641

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine (CID 70062965) is 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine is CCCN1CC(N)Cc2cc(Br)cc([N+](=O)[O-])c21.
What is the InChIKey of 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is IHZFHXFIJTWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-2-3-15-7-10(14)5-8-4-9(13)6-11(12(8)15)16(17)18/h4,6,10H,2-3,5,7,14H2,1H3.
What are the key properties of 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine?
6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 314.18 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 70062965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).