[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid

C23H26ClN3O3 — CID 118420311

IUPAC[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(-c2ccnc3cc(Cl)ccc23)ncc1OCC(C)CC(C)(C)NC(=O)O
InChIInChI=1S/C23H26ClN3O3/c1-14(11-23(3,4)27-22(28)29)13-30-21-12-26-19(9-15(21)2)18-7-8-25-20-10-16(24)5-6-17(18)20/h5-10,12,14,27H,11,13H2,1-4H3,(H,28,29)
InChIKeyAZMHIEPKYOYDOG-UHFFFAOYSA-N
MW427.93 g/mol
LogP5.71
Rot. Bonds7

About [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid

[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid (PubChem CID 118420311) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
PubChem CID118420311
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(-c2ccnc3cc(Cl)ccc23)ncc1OCC(C)CC(C)(C)NC(=O)O
InChIInChI=1S/C23H26ClN3O3/c1-14(11-23(3,4)27-22(28)29)13-30-21-12-26-19(9-15(21)2)18-7-8-25-20-10-16(24)5-6-17(18)20/h5-10,12,14,27H,11,13H2,1-4H3,(H,28,29)
InChIKeyAZMHIEPKYOYDOG-UHFFFAOYSA-N
XLogP5.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
CID 157136865
[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420142
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
4-[4-chloro-5-(2,4-dimethylpentoxy)-2-pyridinyl]-7-(trifluoromethyl)quinoline
CID 144939963
[5-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420070
[(4S)-5-[4-(6,7-difluoroquinazolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135284492
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
(2S)-1-[(4-chloro-6-quinolin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118429910
2-[3-(7-chloroquinolin-4-yl)-2,5-dimethyl-6-methylsulfonylindol-1-yl]acetic acid
CID 66651797
5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118419790
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478

Frequently Asked Questions

What is the IUPAC name of [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The IUPAC name of [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid (CID 118420311) is [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid.
What is the SMILES notation for [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The canonical SMILES for [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid is Cc1cc(-c2ccnc3cc(Cl)ccc23)ncc1OCC(C)CC(C)(C)NC(=O)O.
What is the InChIKey of [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The InChIKey is AZMHIEPKYOYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-14(11-23(3,4)27-22(28)29)13-30-21-12-26-19(9-15(21)2)18-7-8-25-20-10-16(24)5-6-17(18)20/h5-10,12,14,27H,11,13H2,1-4H3,(H,28,29).
What are the key properties of [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
[5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid has a molecular weight of 427.93 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid is sourced from PubChem (CID 118420311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).