N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C25H22ClF2N5O — CID 66632104

IUPACN-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(Cl)cc(N4CCOCC4)n3)c2C)c1
InChIInChI=1S/C25H22ClF2N5O/c1-14-3-4-29-20(9-14)24-15(2)25(23-18(28)12-17(27)13-19(23)30-24)32-21-10-16(26)11-22(31-21)33-5-7-34-8-6-33/h3-4,9-13H,5-8H2,1-2H3,(H,30,31,32)
InChIKeyAJGXKMPSIZGSPI-UHFFFAOYSA-N
MW481.93 g/mol
LogP5.82
Rot. Bonds4

About N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 66632104) has the molecular formula C25H22ClF2N5O and a molecular weight of 481.93 g/mol. Its IUPAC name is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID66632104
Molecular FormulaC25H22ClF2N5O
Molecular Weight481.93 g/mol
Exact Mass481.15
IUPAC NameN-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(Cl)cc(N4CCOCC4)n3)c2C)c1
InChIInChI=1S/C25H22ClF2N5O/c1-14-3-4-29-20(9-14)24-15(2)25(23-18(28)12-17(27)13-19(23)30-24)32-21-10-16(26)11-22(31-21)33-5-7-34-8-6-33/h3-4,9-13H,5-8H2,1-2H3,(H,30,31,32)
InChIKeyAJGXKMPSIZGSPI-UHFFFAOYSA-N
XLogP5.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.93
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157064929
4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157054036
5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
CID 56591659
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
CID 67284589
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine
CID 59631303
4-chloro-5,7-difluoro-3-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]quinolin-4-amine
CID 158328432
4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
CID 66632235
4-[5,7-difluoro-3-methyl-4-[(6-morpholin-4-yl-2-pyridinyl)amino]quinolin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 87084387
4-[5,7-difluoro-3-methyl-4-[(6-morpholin-4-yl-2-pyridinyl)amino]quinolin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 66632340
N-[5-(1,1-dihydroxythian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 89485351
4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66632404

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 66632104) is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(Cl)cc(N4CCOCC4)n3)c2C)c1.
What is the InChIKey of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is AJGXKMPSIZGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O/c1-14-3-4-29-20(9-14)24-15(2)25(23-18(28)12-17(27)13-19(23)30-24)32-21-10-16(26)11-22(31-21)33-5-7-34-8-6-33/h3-4,9-13H,5-8H2,1-2H3,(H,30,31,32).
What are the key properties of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 481.93 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66632104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).