7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine

C15H19FN4 — CID 83173958

IUPAC7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
SMILESCN1CCCN(c2c(F)cc(N)c3cccnc23)CC1
InChIInChI=1S/C15H19FN4/c1-19-6-3-7-20(9-8-19)15-12(16)10-13(17)11-4-2-5-18-14(11)15/h2,4-5,10H,3,6-9,17H2,1H3
InChIKeyHLNVCMHRNJIMCW-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.10
Rot. Bonds1

About 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine

7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine (PubChem CID 83173958) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
PubChem CID83173958
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
SMILESCN1CCCN(c2c(F)cc(N)c3cccnc23)CC1
InChIInChI=1S/C15H19FN4/c1-19-6-3-7-20(9-8-19)15-12(16)10-13(17)11-4-2-5-18-14(11)15/h2,4-5,10H,3,6-9,17H2,1H3
InChIKeyHLNVCMHRNJIMCW-UHFFFAOYSA-N
XLogP2.10
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine?
The IUPAC name of 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine (CID 83173958) is 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine is CN1CCCN(c2c(F)cc(N)c3cccnc23)CC1.
What is the InChIKey of 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine?
The InChIKey is HLNVCMHRNJIMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-19-6-3-7-20(9-8-19)15-12(16)10-13(17)11-4-2-5-18-14(11)15/h2,4-5,10H,3,6-9,17H2,1H3.
What are the key properties of 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine?
7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine has a molecular weight of 274.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine is sourced from PubChem (CID 83173958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).