7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine

C26H27ClFN7 — CID 158771668

IUPAC7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
SMILESFc1ccc(Nc2nc(CCCNc3ccnc4cc(Cl)ccc34)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H27ClFN7/c27-18-6-11-21-22(12-14-30-23(21)17-18)29-13-4-5-24-32-25(31-20-9-7-19(28)8-10-20)34-26(33-24)35-15-2-1-3-16-35/h6-12,14,17H,1-5,13,15-16H2,(H,29,30)(H,31,32,33,34)
InChIKeyHGYWOWONDZQNGE-UHFFFAOYSA-N
MW492.00 g/mol
LogP5.99
Rot. Bonds8

About 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine (PubChem CID 158771668) has the molecular formula C26H27ClFN7 and a molecular weight of 492.00 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
PubChem CID158771668
Molecular FormulaC26H27ClFN7
Molecular Weight492.00 g/mol
Exact Mass491.20
IUPAC Name7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
SMILESFc1ccc(Nc2nc(CCCNc3ccnc4cc(Cl)ccc34)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H27ClFN7/c27-18-6-11-21-22(12-14-30-23(21)17-18)29-13-4-5-24-32-25(31-20-9-7-19(28)8-10-20)34-26(33-24)35-15-2-1-3-16-35/h6-12,14,17H,1-5,13,15-16H2,(H,29,30)(H,31,32,33,34)
InChIKeyHGYWOWONDZQNGE-UHFFFAOYSA-N
XLogP5.99
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
CID 146733627
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-N-cyclohexyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 46227634
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
CID 70691269
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666697
4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 71598239
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
4-N-[4-[2-(3-aminopropyl)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1-N-(7-chloroquinolin-4-yl)benzene-1,4-diamine
CID 51346923
[4-[[4-[4-[(7-chloroquinolin-4-yl)amino]butylamino]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 155811673
N-(7-chloroquinolin-4-yl)-N'-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 155809149
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine (CID 158771668) is 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine is Fc1ccc(Nc2nc(CCCNc3ccnc4cc(Cl)ccc34)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
The InChIKey is HGYWOWONDZQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN7/c27-18-6-11-21-22(12-14-30-23(21)17-18)29-13-4-5-24-32-25(31-20-9-7-19(28)8-10-20)34-26(33-24)35-15-2-1-3-16-35/h6-12,14,17H,1-5,13,15-16H2,(H,29,30)(H,31,32,33,34).
What are the key properties of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine has a molecular weight of 492.00 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 158771668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).