1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine

C22H19ClFN5 — CID 158860748

IUPAC1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
SMILESNc1cc2cccc(F)c2c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1
InChIInChI=1S/C22H19ClFN5/c23-16-10-15-18(26-12-27-22(15)29-7-2-1-3-8-29)11-14(16)21-20-13(9-19(25)28-21)5-4-6-17(20)24/h4-6,9-12H,1-3,7-8H2,(H2,25,28)
InChIKeyJAPURMLRWLVKCL-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.21
Rot. Bonds2

About 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine

1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine (PubChem CID 158860748) has the molecular formula C22H19ClFN5 and a molecular weight of 407.88 g/mol. Its IUPAC name is 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
PubChem CID158860748
Molecular FormulaC22H19ClFN5
Molecular Weight407.88 g/mol
Exact Mass407.13
IUPAC Name1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
SMILESNc1cc2cccc(F)c2c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1
InChIInChI=1S/C22H19ClFN5/c23-16-10-15-18(26-12-27-22(15)29-7-2-1-3-8-29)11-14(16)21-20-13(9-19(25)28-21)5-4-6-17(20)24/h4-6,9-12H,1-3,7-8H2,(H2,25,28)
InChIKeyJAPURMLRWLVKCL-UHFFFAOYSA-N
XLogP5.21
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-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 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
The IUPAC name of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine (CID 158860748) is 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine.
What is the SMILES notation for 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
The canonical SMILES for 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine is Nc1cc2cccc(F)c2c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1.
What is the InChIKey of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
The InChIKey is JAPURMLRWLVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5/c23-16-10-15-18(26-12-27-22(15)29-7-2-1-3-8-29)11-14(16)21-20-13(9-19(25)28-21)5-4-6-17(20)24/h4-6,9-12H,1-3,7-8H2,(H2,25,28).
What are the key properties of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine has a molecular weight of 407.88 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine is sourced from PubChem (CID 158860748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).