(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid

C26H25NO3 — CID 56601913

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid
SMILESCc1cc2ccccc2c(-c2cnc3ccccc3c2)c1[C@H](OC(C)(C)C)C(=O)O
InChIInChI=1S/C26H25NO3/c1-16-13-17-9-5-7-11-20(17)23(22(16)24(25(28)29)30-26(2,3)4)19-14-18-10-6-8-12-21(18)27-15-19/h5-15,24H,1-4H3,(H,28,29)/t24-/m0/s1
InChIKeyCFWYTMBLSCTVKN-DEOSSOPVSA-N
MW399.49 g/mol
LogP6.30
Rot. Bonds4

About (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid

(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid (PubChem CID 56601913) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid
PubChem CID56601913
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid
SMILESCc1cc2ccccc2c(-c2cnc3ccccc3c2)c1[C@H](OC(C)(C)C)C(=O)O
InChIInChI=1S/C26H25NO3/c1-16-13-17-9-5-7-11-20(17)23(22(16)24(25(28)29)30-26(2,3)4)19-14-18-10-6-8-12-21(18)27-15-19/h5-15,24H,1-4H3,(H,28,29)/t24-/m0/s1
InChIKeyCFWYTMBLSCTVKN-DEOSSOPVSA-N
XLogP6.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic 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

2-[1-[3-(acetamidomethyl)phenyl]-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 77404970
(2S)-2-[1-(4,4-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56601715
(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-spiro[2.5]oct-6-en-6-ylnaphthalen-2-yl)acetic acid
CID 56601716
(2S)-2-[1-(6-hydroxy-3,3-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 147922499
(1S)-1-[1-(3-isocyanophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 158219891
3-anthracen-9-ylquinoline
CID 170654314
2-(4-iodo-2-methylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 58125437
(1S)-1-[3-methyl-1-[3-(methylsulfonylmethyl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 160638676
2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-6-(2-phenylpyrimidin-5-yl)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 78137629
(2S)-2-[1-(8-hydroxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-10-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 129163445
[(2S)-2-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate;(2S)-2-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 158808432
2-[5-(4-chlorophenyl)-2-formyl-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 87083554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid (CID 56601913) is (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid is Cc1cc2ccccc2c(-c2cnc3ccccc3c2)c1[C@H](OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid?
The InChIKey is CFWYTMBLSCTVKN-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25NO3/c1-16-13-17-9-5-7-11-20(17)23(22(16)24(25(28)29)30-26(2,3)4)19-14-18-10-6-8-12-21(18)27-15-19/h5-15,24H,1-4H3,(H,28,29)/t24-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid?
(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid has a molecular weight of 399.49 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid is sourced from PubChem (CID 56601913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).