2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate

C22H16NO3- — CID 7139665

IUPAC2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)[O-])c2cccc(C)c2n1
InChIInChI=1S/C22H17NO3/c1-13-6-5-9-16-17(22(24)25)12-18(23-21(13)16)20-15-8-4-3-7-14(15)10-11-19(20)26-2/h3-12H,1-2H3,(H,24,25)/p-1
InChIKeyLOBWIQCOYSBTGR-UHFFFAOYSA-M
MW342.37 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate

2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate (PubChem CID 7139665) has the molecular formula C22H16NO3- and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
PubChem CID7139665
Molecular FormulaC22H16NO3-
Molecular Weight342.37 g/mol
Exact Mass342.11
IUPAC Name2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)[O-])c2cccc(C)c2n1
InChIInChI=1S/C22H17NO3/c1-13-6-5-9-16-17(22(24)25)12-18(23-21(13)16)20-15-8-4-3-7-14(15)10-11-19(20)26-2/h3-12H,1-2H3,(H,24,25)/p-1
InChIKeyLOBWIQCOYSBTGR-UHFFFAOYSA-M
XLogP3.74
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butoxynaphthalen-1-yl)-8-methoxyquinoline-4-carboxylate
CID 7139855
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
CID 7139771
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139738
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
4,5-dimethylacridine-9-carboxylate
CID 7095758
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate (CID 7139665) is 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate is COc1ccc2ccccc2c1-c1cc(C(=O)[O-])c2cccc(C)c2n1.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate?
The InChIKey is LOBWIQCOYSBTGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17NO3/c1-13-6-5-9-16-17(22(24)25)12-18(23-21(13)16)20-15-8-4-3-7-14(15)10-11-19(20)26-2/h3-12H,1-2H3,(H,24,25)/p-1.
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate?
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate is sourced from PubChem (CID 7139665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).