4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine

C58H61ClF2N10O4 — CID 157143590

IUPAC4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
SMILESCc1c(-c2cccnc2)nc2cccc(F)c2c1Cl.Cc1c(-c2cccnc2)nc2cccc(F)c2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1.Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C29H30FN5O2.C15H10ClFN2.C14H21N3O2/c1-20-28(21-4-3-9-31-19-21)32-24-6-2-5-23(30)27(24)29(20)33-25-18-22(34-10-14-36-15-11-34)7-8-26(25)35-12-16-37-17-13-35;1-9-14(16)13-11(17)5-2-6-12(13)19-15(9)10-4-3-7-18-8-10;15-13-11-12(16-3-7-18-8-4-16)1-2-14(13)17-5-9-19-10-6-17/h2-9,18-19H,10-17H2,1H3,(H,32,33);2-8H,1H3;1-2,11H,3-10,15H2
InChIKeyAKLODBVISKDERS-UHFFFAOYSA-N
MW1035.64 g/mol
LogP10.50
Rot. Bonds8

About 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine

4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine (PubChem CID 157143590) has the molecular formula C58H61ClF2N10O4 and a molecular weight of 1035.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine.

Molecular Properties

Compound Name4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
PubChem CID157143590
Molecular FormulaC58H61ClF2N10O4
Molecular Weight1035.64 g/mol
Exact Mass1034.45
IUPAC Name4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
SMILESCc1c(-c2cccnc2)nc2cccc(F)c2c1Cl.Cc1c(-c2cccnc2)nc2cccc(F)c2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1.Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C29H30FN5O2.C15H10ClFN2.C14H21N3O2/c1-20-28(21-4-3-9-31-19-21)32-24-6-2-5-23(30)27(24)29(20)33-25-18-22(34-10-14-36-15-11-34)7-8-26(25)35-12-16-37-17-13-35;1-9-14(16)13-11(17)5-2-6-12(13)19-15(9)10-4-3-7-18-8-10;15-13-11-12(16-3-7-18-8-4-16)1-2-14(13)17-5-9-19-10-6-17/h2-9,18-19H,10-17H2,1H3,(H,32,33);2-8H,1H3;1-2,11H,3-10,15H2
InChIKeyAKLODBVISKDERS-UHFFFAOYSA-N
XLogP10.50
TPSA139.49 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.64
LogP ≤ 510.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine with MolForge

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Related Compounds

2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]-4-chloropyridin-3-amine
CID 146676623
6-Amino-4-(3-chloro-4-fluroanilino)-7-(4-morpholinyl)-3-quinolinecarbonitrile
CID 11689805
6-Chloro-N-(2,5-di-4-morpholinylphenyl)-2-(2-fluorophenyl)-3-methyl-4-quinolinamine
CID 50905048
N-(2,5-Di-4-morpholinylphenyl)-2-(2-fluorophenyl)-3-methyl-4-quinolinamine
CID 50905050
N-(2,5-Di-4-morpholinylphenyl)-6-fluoro-3-methyl-2-(3-pyridinyl)-4-quinolinamine
CID 50905051
N-(2,5-Di-4-morpholinylphenyl)-6-fluoro-2-(5-fluoro-3-pyridinyl)-3-methyl-4-quinolinamine
CID 50905278
N-(2,5-di-4-morpholinylphenyl)-6-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50905279
5,7-difluoro-3-methyl-N-(5-morpholinopyridin-3-yl)-2-(pyridin-2-yl)quinolin-4-amine
CID 50906789
N-(2,5-di-4-Morpholinylphenyl)-8-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50908278
N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 50908279
N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
CID 50908280
N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
CID 50908281

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The IUPAC name of 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine (CID 157143590) is 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine.
What is the SMILES notation for 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The canonical SMILES for 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine is Cc1c(-c2cccnc2)nc2cccc(F)c2c1Cl.Cc1c(-c2cccnc2)nc2cccc(F)c2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1.Nc1cc(N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The InChIKey is AKLODBVISKDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2.C15H10ClFN2.C14H21N3O2/c1-20-28(21-4-3-9-31-19-21)32-24-6-2-5-23(30)27(24)29(20)33-25-18-22(34-10-14-36-15-11-34)7-8-26(25)35-12-16-37-17-13-35;1-9-14(16)13-11(17)5-2-6-12(13)19-15(9)10-4-3-7-18-8-10;15-13-11-12(16-3-7-18-8-4-16)1-2-14(13)17-5-9-19-10-6-17/h2-9,18-19H,10-17H2,1H3,(H,32,33);2-8H,1H3;1-2,11H,3-10,15H2.
What are the key properties of 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine has a molecular weight of 1035.64 g/mol, XLogP of 10.50, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine is sourced from PubChem (CID 157143590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).