methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate

C32H28N2O4 — CID 54277060

IUPACmethyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(NC(=O)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1
InChIInChI=1S/C32H28N2O4/c1-37-31(35)8-4-5-22-9-15-27(16-10-22)34-32(36)26-12-11-25-20-29(18-14-24(25)19-26)38-21-28-17-13-23-6-2-3-7-30(23)33-28/h2-3,6-7,9-20H,4-5,8,21H2,1H3,(H,34,36)
InChIKeyRODGRYRBFHTHLC-UHFFFAOYSA-N
MW504.59 g/mol
LogP6.72
Rot. Bonds9

About methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate

methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate (PubChem CID 54277060) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate
PubChem CID54277060
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Namemethyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(NC(=O)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1
InChIInChI=1S/C32H28N2O4/c1-37-31(35)8-4-5-22-9-15-27(16-10-22)34-32(36)26-12-11-25-20-29(18-14-24(25)19-26)38-21-28-17-13-23-6-2-3-7-30(23)33-28/h2-3,6-7,9-20H,4-5,8,21H2,1H3,(H,34,36)
InChIKeyRODGRYRBFHTHLC-UHFFFAOYSA-N
XLogP6.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate 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

methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
CID 67760741
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
CID 54314430
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 1310649
methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
CID 10793105
4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
CID 10075131

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate?
The IUPAC name of methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate (CID 54277060) is methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate.
What is the SMILES notation for methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate?
The canonical SMILES for methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate is COC(=O)CCCc1ccc(NC(=O)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1.
What is the InChIKey of methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate?
The InChIKey is RODGRYRBFHTHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4/c1-37-31(35)8-4-5-22-9-15-27(16-10-22)34-32(36)26-12-11-25-20-29(18-14-24(25)19-26)38-21-28-17-13-23-6-2-3-7-30(23)33-28/h2-3,6-7,9-20H,4-5,8,21H2,1H3,(H,34,36).
What are the key properties of methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate?
methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate has a molecular weight of 504.59 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate is sourced from PubChem (CID 54277060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).