methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate

C27H26N2O2 — CID 10223289

IUPACmethyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)C(Cc1ccncc1)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1
InChIInChI=1S/C27H26N2O2/c1-18(2)23-16-22-8-5-11-29-26(22)24(17-23)20-6-4-7-21(15-20)25(27(30)31-3)14-19-9-12-28-13-10-19/h4-13,15-18,25H,14H2,1-3H3
InChIKeyLWNBZGDZQHQEIU-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.92
Rot. Bonds6

About methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate

methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate (PubChem CID 10223289) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate
PubChem CID10223289
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Namemethyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)C(Cc1ccncc1)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1
InChIInChI=1S/C27H26N2O2/c1-18(2)23-16-22-8-5-11-29-26(22)24(17-23)20-6-4-7-21(15-20)25(27(30)31-3)14-19-9-12-28-13-10-19/h4-13,15-18,25H,14H2,1-3H3
InChIKeyLWNBZGDZQHQEIU-UHFFFAOYSA-N
XLogP5.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate with MolForge

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Related Compounds

2-{4-[({3-[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}methyl)amino]phenyl}acetic acid
CID 16090331
(4-{[{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(Methyl)Amino]Methyl}Phenyl)Acetic Acid
CID 16090332
[4-({[3-(3-Benzyl-8-Methylquinolin-4-yl)Phenyl]Amino}Methyl)Phenyl]Acetic Acid
CID 16739344
2-{4-[({3-[3-Methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
CID 23648467
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
4-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic Acid
CID 9924539
Methyl 8-methyl-3-(4-(quinolin-3-yl)phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 10178229
4-[8-(3-Cyano-phenyl)-[1,7]naphthyridin-6-yl]-cyclohexanecarboxylic acid
CID 17989733
4-(3-(6-Isopropylquinolin-8-yl)phenyl)-2-methyl-3-(pyridin-4-yl)butan-2-ol
CID 20814950
2-(4-(3-(3-Benzyl-8-(trifluoromethyl)quinolin-4-yl)benzylamino)-2,3-dimethylphenyl)acetic acid
CID 25226691

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate (CID 10223289) is methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate is COC(=O)C(Cc1ccncc1)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1.
What is the InChIKey of methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate?
The InChIKey is LWNBZGDZQHQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18(2)23-16-22-8-5-11-29-26(22)24(17-23)20-6-4-7-21(15-20)25(27(30)31-3)14-19-9-12-28-13-10-19/h4-13,15-18,25H,14H2,1-3H3.
What are the key properties of methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate?
methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate has a molecular weight of 410.52 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 10223289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).