N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide

C18H17N3O3 — CID 629588

IUPACN-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide
SMILESCOc1cc(N)c2ncccc2c1Oc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H17N3O3/c1-11(22)21-12-5-7-13(8-6-12)24-18-14-4-3-9-20-17(14)15(19)10-16(18)23-2/h3-10H,19H2,1-2H3,(H,21,22)
InChIKeyCMKLFULUOBYXKT-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.58
Rot. Bonds4

About N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide

N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide (PubChem CID 629588) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide
PubChem CID629588
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide
SMILESCOc1cc(N)c2ncccc2c1Oc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H17N3O3/c1-11(22)21-12-5-7-13(8-6-12)24-18-14-4-3-9-20-17(14)15(19)10-16(18)23-2/h3-10H,19H2,1-2H3,(H,21,22)
InChIKeyCMKLFULUOBYXKT-UHFFFAOYSA-N
XLogP3.58
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide?
The IUPAC name of N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide (CID 629588) is N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide is COc1cc(N)c2ncccc2c1Oc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide?
The InChIKey is CMKLFULUOBYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(22)21-12-5-7-13(8-6-12)24-18-14-4-3-9-20-17(14)15(19)10-16(18)23-2/h3-10H,19H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide?
N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-amino-6-methoxyquinolin-5-yl)oxyphenyl]acetamide is sourced from PubChem (CID 629588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).