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

C25H21ClF2N4O — CID 59631089

IUPACN-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C25H21ClF2N4O/c1-15-24(20-4-2-3-7-29-20)31-22-13-16(27)12-19(28)23(22)25(15)30-21-14-17(5-6-18(21)26)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,30,31)
InChIKeyXHUVUJOEZVYGSJ-UHFFFAOYSA-N
MW466.92 g/mol
LogP6.12
Rot. Bonds4

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

N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631089) has the molecular formula C25H21ClF2N4O and a molecular weight of 466.92 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631089
Molecular FormulaC25H21ClF2N4O
Molecular Weight466.92 g/mol
Exact Mass466.14
IUPAC NameN-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C25H21ClF2N4O/c1-15-24(20-4-2-3-7-29-20)31-22-13-16(27)12-19(28)23(22)25(15)30-21-14-17(5-6-18(21)26)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,30,31)
InChIKeyXHUVUJOEZVYGSJ-UHFFFAOYSA-N
XLogP6.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-(2-morpholinoethyl)quinolin-4-amine
CID 9926053
7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
CID 10622386
7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25004136
(E)-4-(2,4-dichlorophenylamino)-7-(4-morpholinobut-1-enyl)quinoline-3-carbonitrile
CID 46889034
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 101577011
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide
CID 10051410
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(2-morpholin-4-ylethylamino)methyl]phenyl]-2-piperidin-1-ylacetamide
CID 10875177
N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 25194347
4-(3-Chloro-4-fluorophenylamino)-6-(2-morpholinoethylamino)quinoline-3-carbonitrile
CID 44420127
N-(2-chloro-4-fluorophenyl)-7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]quinolin-4-amine
CID 44532468
N-(2-chloro-4-fluorophenyl)-7-[3-[(2-methoxyethylamino)methyl]phenyl]quinolin-4-amine
CID 44532469
N-(2-chloro-4-fluorophenyl)-7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44532471

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631089) is N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is XHUVUJOEZVYGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O/c1-15-24(20-4-2-3-7-29-20)31-22-13-16(27)12-19(28)23(22)25(15)30-21-14-17(5-6-18(21)26)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,30,31).
What are the key properties of N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 466.92 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).