2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane

C30H33N3O6 — CID 143322288

IUPAC2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane
SMILESCC.COc1cc2c(Oc3ccc(CC(=O)Nc4ccccc4)cc3)ccnc2cc1OCCC(N)C(=O)O
InChIInChI=1S/C28H27N3O6.C2H6/c1-35-25-16-21-23(17-26(25)36-14-12-22(29)28(33)34)30-13-11-24(21)37-20-9-7-18(8-10-20)15-27(32)31-19-5-3-2-4-6-19;1-2/h2-11,13,16-17,22H,12,14-15,29H2,1H3,(H,31,32)(H,33,34);1-2H3
InChIKeyVNYBQJQNGGLUNN-UHFFFAOYSA-N
MW531.61 g/mol
LogP5.42
Rot. Bonds11

About 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane

2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane (PubChem CID 143322288) has the molecular formula C30H33N3O6 and a molecular weight of 531.61 g/mol. Its IUPAC name is 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane.

Molecular Properties

Compound Name2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane
PubChem CID143322288
Molecular FormulaC30H33N3O6
Molecular Weight531.61 g/mol
Exact Mass531.24
IUPAC Name2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane
SMILESCC.COc1cc2c(Oc3ccc(CC(=O)Nc4ccccc4)cc3)ccnc2cc1OCCC(N)C(=O)O
InChIInChI=1S/C28H27N3O6.C2H6/c1-35-25-16-21-23(17-26(25)36-14-12-22(29)28(33)34)30-13-11-24(21)37-20-9-7-18(8-10-20)15-27(32)31-19-5-3-2-4-6-19;1-2/h2-11,13,16-17,22H,12,14-15,29H2,1H3,(H,31,32)(H,33,34);1-2H3
InChIKeyVNYBQJQNGGLUNN-UHFFFAOYSA-N
XLogP5.42
TPSA133.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane with MolForge

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Related Compounds

2-amino-4-[4-[4-[(4-fluorobenzoyl)amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265246
2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoic acid
CID 67264759
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
2-amino-4-[6-methoxy-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-7-yl]oxybutanoic acid
CID 67265015
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
(2S)-2-amino-5-[6-methoxy-4-[4-[[3-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]carbamoylamino]phenoxy]quinolin-7-yl]oxypentanoic acid
CID 162552435
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate
CID 67264730
N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide
CID 142073553
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methoxyphenyl)acetamide
CID 59791994

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane?
The IUPAC name of 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane (CID 143322288) is 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane.
What is the SMILES notation for 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane?
The canonical SMILES for 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane is CC.COc1cc2c(Oc3ccc(CC(=O)Nc4ccccc4)cc3)ccnc2cc1OCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane?
The InChIKey is VNYBQJQNGGLUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O6.C2H6/c1-35-25-16-21-23(17-26(25)36-14-12-22(29)28(33)34)30-13-11-24(21)37-20-9-7-18(8-10-20)15-27(32)31-19-5-3-2-4-6-19;1-2/h2-11,13,16-17,22H,12,14-15,29H2,1H3,(H,31,32)(H,33,34);1-2H3.
What are the key properties of 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane?
2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane has a molecular weight of 531.61 g/mol, XLogP of 5.42, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane is sourced from PubChem (CID 143322288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).