2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid

C28H27N3O7 — CID 67265062

IUPAC2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3OC)ccnc2cc1OCCC(N)C(=O)O
InChIInChI=1S/C28H27N3O7/c1-35-24-14-18(31-27(32)17-6-4-3-5-7-17)8-9-23(24)38-22-10-12-30-21-16-26(25(36-2)15-19(21)22)37-13-11-20(29)28(33)34/h3-10,12,14-16,20H,11,13,29H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyCPIJEDTXRWROJW-UHFFFAOYSA-N
MW517.54 g/mol
LogP4.48
Rot. Bonds11

About 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid

2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid (PubChem CID 67265062) has the molecular formula C28H27N3O7 and a molecular weight of 517.54 g/mol. Its IUPAC name is 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
PubChem CID67265062
Molecular FormulaC28H27N3O7
Molecular Weight517.54 g/mol
Exact Mass517.18
IUPAC Name2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3OC)ccnc2cc1OCCC(N)C(=O)O
InChIInChI=1S/C28H27N3O7/c1-35-24-14-18(31-27(32)17-6-4-3-5-7-17)8-9-23(24)38-22-10-12-30-21-16-26(25(36-2)15-19(21)22)37-13-11-20(29)28(33)34/h3-10,12,14-16,20H,11,13,29H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyCPIJEDTXRWROJW-UHFFFAOYSA-N
XLogP4.48
TPSA142.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid 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-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane
CID 143322288
2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoic acid
CID 67264759
cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate
CID 67265173
N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
CID 143083731
cyclopentyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxypropylamino]-2-phenylacetate
CID 15605215
2-amino-4-[6-methoxy-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-7-yl]oxybutanoic acid
CID 67265015
cyclopentyl (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetate
CID 15605353
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
cyclohexyl (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetate
CID 143322373
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid?
The IUPAC name of 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid (CID 67265062) is 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid.
What is the SMILES notation for 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid?
The canonical SMILES for 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid is COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3OC)ccnc2cc1OCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid?
The InChIKey is CPIJEDTXRWROJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O7/c1-35-24-14-18(31-27(32)17-6-4-3-5-7-17)8-9-23(24)38-22-10-12-30-21-16-26(25(36-2)15-19(21)22)37-13-11-20(29)28(33)34/h3-10,12,14-16,20H,11,13,29H2,1-2H3,(H,31,32)(H,33,34).
What are the key properties of 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid?
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid has a molecular weight of 517.54 g/mol, XLogP of 4.48, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid is sourced from PubChem (CID 67265062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).