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

C24H20ClF2N5O — CID 59631201

IUPACN-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl
InChIInChI=1S/C24H20ClF2N5O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyZAKVPWXTAISMBZ-UHFFFAOYSA-N
MW467.91 g/mol
LogP5.51
Rot. Bonds4

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

N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631201) has the molecular formula C24H20ClF2N5O and a molecular weight of 467.91 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631201
Molecular FormulaC24H20ClF2N5O
Molecular Weight467.91 g/mol
Exact Mass467.13
IUPAC NameN-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl
InChIInChI=1S/C24H20ClF2N5O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyZAKVPWXTAISMBZ-UHFFFAOYSA-N
XLogP5.51
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.91
LogP ≤ 55.51
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 N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631201) is N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is ZAKVPWXTAISMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31).
What are the key properties of N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 467.91 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).