1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine

C15H18BrN3O2 — CID 63200316

IUPAC1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12
InChIInChI=1S/C15H18BrN3O2/c1-3-6-17-10(2)7-13-12-8-11(16)4-5-14(12)18-9-15(13)19(20)21/h4-5,8-10,17H,3,6-7H2,1-2H3
InChIKeyJYPDNSGMYHYJLG-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.84
Rot. Bonds6

About 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine

1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine (PubChem CID 63200316) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine
PubChem CID63200316
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12
InChIInChI=1S/C15H18BrN3O2/c1-3-6-17-10(2)7-13-12-8-11(16)4-5-14(12)18-9-15(13)19(20)21/h4-5,8-10,17H,3,6-7H2,1-2H3
InChIKeyJYPDNSGMYHYJLG-UHFFFAOYSA-N
XLogP3.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.84
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

1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine
CID 63200163
6-bromo-4-(2-chloro-3,3-dimethylbutyl)-3-nitroquinoline
CID 63530544
6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031
N-(6-bromo-3-nitroquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664666
2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
CID 63353378
2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
3-(6-bromo-3-nitroquinolin-4-yl)butan-2-ol
CID 55161443
2-[(6-bromo-3-nitroquinolin-4-yl)amino]propanoic acid
CID 43621517
(E)-4-(4-bromo-2-nitrophenyl)-N-propylbut-3-en-2-amine
CID 103092672
6-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitroquinolin-4-amine
CID 138958118
3-(5-bromo-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
CID 65342886
1-(4-fluoro-2-nitrophenyl)-N-propylpropan-2-amine
CID 63200165

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine (CID 63200316) is 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine is CCCNC(C)Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12.
What is the InChIKey of 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine?
The InChIKey is JYPDNSGMYHYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-6-17-10(2)7-13-12-8-11(16)4-5-14(12)18-9-15(13)19(20)21/h4-5,8-10,17H,3,6-7H2,1-2H3.
What are the key properties of 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine?
1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine has a molecular weight of 352.23 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 63200316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).