2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate

C26H22NO4- — CID 7139751

IUPAC2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)ccc1OCCc1ccccc1
InChIInChI=1S/C26H23NO4/c1-17-8-10-22-20(14-17)21(26(28)29)16-23(27-22)19-9-11-24(25(15-19)30-2)31-13-12-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,29)/p-1
InChIKeyROPNCMJNQQGLRY-UHFFFAOYSA-M
MW412.47 g/mol
LogP4.20
Rot. Bonds7

About 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate

2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate (PubChem CID 7139751) has the molecular formula C26H22NO4- and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate
PubChem CID7139751
Molecular FormulaC26H22NO4-
Molecular Weight412.47 g/mol
Exact Mass412.16
IUPAC Name2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)ccc1OCCc1ccccc1
InChIInChI=1S/C26H23NO4/c1-17-8-10-22-20(14-17)21(26(28)29)16-23(27-22)19-9-11-24(25(15-19)30-2)31-13-12-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,29)/p-1
InChIKeyROPNCMJNQQGLRY-UHFFFAOYSA-M
XLogP4.20
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-6-methylquinoline-4-carboxylate
CID 7139755
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 3276251
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139738
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate?
The IUPAC name of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate (CID 7139751) is 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate?
The canonical SMILES for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate is COc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)ccc1OCCc1ccccc1.
What is the InChIKey of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate?
The InChIKey is ROPNCMJNQQGLRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H23NO4/c1-17-8-10-22-20(14-17)21(26(28)29)16-23(27-22)19-9-11-24(25(15-19)30-2)31-13-12-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,29)/p-1.
What are the key properties of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate?
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 7139751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).