8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine

C15H18FN3O2 — CID 63524176

IUPAC8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
SMILESCCCNc1nc2c(F)ccc([N+](=O)[O-])c2cc1CCC
InChIInChI=1S/C15H18FN3O2/c1-3-5-10-9-11-13(19(20)21)7-6-12(16)14(11)18-15(10)17-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyVGVCHIRTQQALAE-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.06
Rot. Bonds6

About 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine

8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine (PubChem CID 63524176) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine.

Molecular Properties

Compound Name8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
PubChem CID63524176
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
SMILESCCCNc1nc2c(F)ccc([N+](=O)[O-])c2cc1CCC
InChIInChI=1S/C15H18FN3O2/c1-3-5-10-9-11-13(19(20)21)7-6-12(16)14(11)18-15(10)17-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyVGVCHIRTQQALAE-UHFFFAOYSA-N
XLogP4.06
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.06
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-8-fluoro-N,3-dipropylquinolin-2-amine
CID 63524550
N-ethyl-5-fluoro-8-methyl-3-propylquinolin-2-amine
CID 63523830
3-ethyl-6,8-difluoro-N-propylquinolin-2-amine
CID 63525418
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
N,3-dipropylbenzo[h]quinolin-2-amine
CID 63526295
5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
CID 55223167
3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
CID 63523674
(5-bromo-8-fluoro-3-propylquinolin-2-yl)hydrazine
CID 63233439
8-methyl-7-nitro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63525776
8-chloro-3-ethyl-6-nitro-N-propylquinolin-2-amine
CID 63525434
5-fluoro-2-nitro-N-propylaniline
CID 50987928
2-chloro-8-fluoro-5-nitro-3-propan-2-ylquinoline
CID 63231932

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine?
The IUPAC name of 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine (CID 63524176) is 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine.
What is the SMILES notation for 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine?
The canonical SMILES for 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine is CCCNc1nc2c(F)ccc([N+](=O)[O-])c2cc1CCC.
What is the InChIKey of 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine?
The InChIKey is VGVCHIRTQQALAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-5-10-9-11-13(19(20)21)7-6-12(16)14(11)18-15(10)17-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine?
8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine is sourced from PubChem (CID 63524176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).