methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate

C30H30N2O4 — CID 67760741

IUPACmethyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(N(C)C(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C30H30N2O4/c1-32(26-16-10-22(11-17-26)6-5-9-30(34)35-2)29(33)20-23-12-18-27(19-13-23)36-21-25-15-14-24-7-3-4-8-28(24)31-25/h3-4,7-8,10-19H,5-6,9,20-21H2,1-2H3
InChIKeyPVIHVFVAOMDLMR-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.51
Rot. Bonds10

About methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate

methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate (PubChem CID 67760741) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
PubChem CID67760741
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Namemethyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(N(C)C(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C30H30N2O4/c1-32(26-16-10-22(11-17-26)6-5-9-30(34)35-2)29(33)20-23-12-18-27(19-13-23)36-21-25-15-14-24-7-3-4-8-28(24)31-25/h3-4,7-8,10-19H,5-6,9,20-21H2,1-2H3
InChIKeyPVIHVFVAOMDLMR-UHFFFAOYSA-N
XLogP5.51
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate with MolForge

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Related Compounds

methyl 4-[4-[[6-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]phenyl]butanoate
CID 54277060
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
CID 162335511
CID 162335511
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
N-ethyl-2-(4-methoxyphenyl)-N-(quinolin-2-ylmethyl)acetamide
CID 56786077
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 54575104

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate?
The IUPAC name of methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate (CID 67760741) is methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate.
What is the SMILES notation for methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate?
The canonical SMILES for methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate is COC(=O)CCCc1ccc(N(C)C(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate?
The InChIKey is PVIHVFVAOMDLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-32(26-16-10-22(11-17-26)6-5-9-30(34)35-2)29(33)20-23-12-18-27(19-13-23)36-21-25-15-14-24-7-3-4-8-28(24)31-25/h3-4,7-8,10-19H,5-6,9,20-21H2,1-2H3.
What are the key properties of methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate?
methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate has a molecular weight of 482.58 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate is sourced from PubChem (CID 67760741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).