methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate

C32H28N2O4 — CID 54314430

IUPACmethyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)C(C)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1
InChIInChI=1S/C32H28N2O4/c1-21(32(36)34-27-13-7-22(8-14-27)17-31(35)37-2)24-9-10-26-19-29(16-12-25(26)18-24)38-20-28-15-11-23-5-3-4-6-30(23)33-28/h3-16,18-19,21H,17,20H2,1-2H3,(H,34,36)
InChIKeySNDRKFJLIKVDPU-UHFFFAOYSA-N
MW504.59 g/mol
LogP6.42
Rot. Bonds8

About methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate

methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate (PubChem CID 54314430) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
PubChem CID54314430
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Namemethyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)C(C)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1
InChIInChI=1S/C32H28N2O4/c1-21(32(36)34-27-13-7-22(8-14-27)17-31(35)37-2)24-9-10-26-19-29(16-12-25(26)18-24)38-20-28-15-11-23-5-3-4-6-30(23)33-28/h3-16,18-19,21H,17,20H2,1-2H3,(H,34,36)
InChIKeySNDRKFJLIKVDPU-UHFFFAOYSA-N
XLogP6.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate with MolForge

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Related Compounds

2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 54221166
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate
CID 54277060
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
CID 10435196
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087783
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate (CID 54314430) is methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)C(C)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1.
What is the InChIKey of methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate?
The InChIKey is SNDRKFJLIKVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4/c1-21(32(36)34-27-13-7-22(8-14-27)17-31(35)37-2)24-9-10-26-19-29(16-12-25(26)18-24)38-20-28-15-11-23-5-3-4-6-30(23)33-28/h3-16,18-19,21H,17,20H2,1-2H3,(H,34,36).
What are the key properties of methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate?
methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate has a molecular weight of 504.59 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate is sourced from PubChem (CID 54314430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).