[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid

C23H25F2N3O3 — CID 118420420

IUPAC[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(-c2ccnc3cc(F)cc(F)c23)cnc1OCC(C)(CC(C)C)NC(=O)O
InChIInChI=1S/C23H25F2N3O3/c1-13(2)10-23(4,28-22(29)30)12-31-21-14(3)7-15(11-27-21)17-5-6-26-19-9-16(24)8-18(25)20(17)19/h5-9,11,13,28H,10,12H2,1-4H3,(H,29,30)
InChIKeyNNYHBIQRNBHFTM-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.33
Rot. Bonds7

About [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid

[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid (PubChem CID 118420420) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
PubChem CID118420420
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(-c2ccnc3cc(F)cc(F)c23)cnc1OCC(C)(CC(C)C)NC(=O)O
InChIInChI=1S/C23H25F2N3O3/c1-13(2)10-23(4,28-22(29)30)12-31-21-14(3)7-15(11-27-21)17-5-6-26-19-9-16(24)8-18(25)20(17)19/h5-9,11,13,28H,10,12H2,1-4H3,(H,29,30)
InChIKeyNNYHBIQRNBHFTM-UHFFFAOYSA-N
XLogP5.33
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 123291908
2-(2-amino-2,4-dimethylpentoxy)-5-(5,7-difluoroquinolin-4-yl)pyridine-3-carbonitrile
CID 123977827
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942
[1-[[3-cyano-5-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419890
5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
[1-[2-chloro-4-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135284786
tert-butyl N-[1-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 123323558
[2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-yl]carbamic acid
CID 135284797
1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
[1-[[2-(fluoromethyl)-6-[2-(fluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135282398
tert-butyl N-[1-[2-fluoro-4-(1H-pyrrolo[3,2-b]pyridin-7-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamate
CID 137472201

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The IUPAC name of [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid (CID 118420420) is [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The canonical SMILES for [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid is Cc1cc(-c2ccnc3cc(F)cc(F)c23)cnc1OCC(C)(CC(C)C)NC(=O)O.
What is the InChIKey of [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The InChIKey is NNYHBIQRNBHFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-13(2)10-23(4,28-22(29)30)12-31-21-14(3)7-15(11-27-21)17-5-6-26-19-9-16(24)8-18(25)20(17)19/h5-9,11,13,28H,10,12H2,1-4H3,(H,29,30).
What are the key properties of [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid has a molecular weight of 429.47 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid is sourced from PubChem (CID 118420420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).