5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine

C24H21F2N5O — CID 50906789

IUPAC5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C24H21F2N5O/c1-15-23(20-4-2-3-5-28-20)30-21-11-16(25)10-19(26)22(21)24(15)29-17-12-18(14-27-13-17)31-6-8-32-9-7-31/h2-5,10-14H,6-9H2,1H3,(H,29,30)
InChIKeyHLIFUFXDEKVWJV-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.86
Rot. Bonds4

About 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906789) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906789
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C24H21F2N5O/c1-15-23(20-4-2-3-5-28-20)30-21-11-16(25)10-19(26)22(21)24(15)29-17-12-18(14-27-13-17)31-6-8-32-9-7-31/h2-5,10-14H,6-9H2,1H3,(H,29,30)
InChIKeyHLIFUFXDEKVWJV-UHFFFAOYSA-N
XLogP4.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-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 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (CID 50906789) is 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1.
What is the InChIKey of 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is HLIFUFXDEKVWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c1-15-23(20-4-2-3-5-28-20)30-21-11-16(25)10-19(26)22(21)24(15)29-17-12-18(14-27-13-17)31-6-8-32-9-7-31/h2-5,10-14H,6-9H2,1H3,(H,29,30).
What are the key properties of 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 433.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).