N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C49H51FN10O4 — CID 123434918

IUPACN-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOC(CC(C)CCOc4cncc(-c5cnc(N6CCOCC6)cc5N)c4)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cccc(F)c23)c1
InChIInChI=1S/C49H51FN10O4/c1-31(10-15-63-36-21-33(24-53-27-36)38-28-55-45(22-41(38)51)59-12-16-62-17-13-59)19-37-30-60(14-18-64-37)46-23-44(39(29-56-46)34-20-35(61-3)26-52-25-34)58-49-32(2)48(43-8-4-5-11-54-43)57-42-9-6-7-40(50)47(42)49/h4-9,11,20-29,31,37H,10,12-19,30H2,1-3H3,(H2,51,55)(H,56,57,58)
InChIKeyYLEGCSPMWDCUFP-UHFFFAOYSA-N
MW863.01 g/mol
LogP8.53
Rot. Bonds14

About N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 123434918) has the molecular formula C49H51FN10O4 and a molecular weight of 863.01 g/mol. Its IUPAC name is N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID123434918
Molecular FormulaC49H51FN10O4
Molecular Weight863.01 g/mol
Exact Mass862.41
IUPAC NameN-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOC(CC(C)CCOc4cncc(-c5cnc(N6CCOCC6)cc5N)c4)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cccc(F)c23)c1
InChIInChI=1S/C49H51FN10O4/c1-31(10-15-63-36-21-33(24-53-27-36)38-28-55-45(22-41(38)51)59-12-16-62-17-13-59)19-37-30-60(14-18-64-37)46-23-44(39(29-56-46)34-20-35(61-3)26-52-25-34)58-49-32(2)48(43-8-4-5-11-54-43)57-42-9-6-7-40(50)47(42)49/h4-9,11,20-29,31,37H,10,12-19,30H2,1-3H3,(H2,51,55)(H,56,57,58)
InChIKeyYLEGCSPMWDCUFP-UHFFFAOYSA-N
XLogP8.53
TPSA158.79 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.01
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
4-Aminoquinazoline derivative, 6a
CID 50898518
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
(R)-1-(6-Methoxyquinolin-4-yl)-2-{4-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)amino]piperidin-1-yl}ethanol
CID 10204096
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 66556032
N,N-dimethyl-5-(5-{[(3R)-3-piperidinylmethyl]oxy}pyrido[3,4-b]pyrazin-7-yl)-2-pyridinamine
CID 66556365

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 123434918) is N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOC(CC(C)CCOc4cncc(-c5cnc(N6CCOCC6)cc5N)c4)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cccc(F)c23)c1.
What is the InChIKey of N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is YLEGCSPMWDCUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51FN10O4/c1-31(10-15-63-36-21-33(24-53-27-36)38-28-55-45(22-41(38)51)59-12-16-62-17-13-59)19-37-30-60(14-18-64-37)46-23-44(39(29-56-46)34-20-35(61-3)26-52-25-34)58-49-32(2)48(43-8-4-5-11-54-43)57-42-9-6-7-40(50)47(42)49/h4-9,11,20-29,31,37H,10,12-19,30H2,1-3H3,(H2,51,55)(H,56,57,58).
What are the key properties of N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 863.01 g/mol, XLogP of 8.53, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 123434918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).