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

C24H20F3N5O — CID 59631267

IUPAC5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1F
InChIInChI=1S/C24H20F3N5O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(25)10-17(26)21(19)23(14)31-20-12-16(13-29-24(20)27)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyAAZZBQJQOPALAO-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.00
Rot. Bonds4

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

5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631267) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631267
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1F
InChIInChI=1S/C24H20F3N5O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(25)10-17(26)21(19)23(14)31-20-12-16(13-29-24(20)27)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyAAZZBQJQOPALAO-UHFFFAOYSA-N
XLogP5.00
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631267) is 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1F.
What is the InChIKey of 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is AAZZBQJQOPALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(25)10-17(26)21(19)23(14)31-20-12-16(13-29-24(20)27)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31).
What are the key properties of 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 451.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-(2-fluoro-5-morpholin-4-yl-3-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).