4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide

C17H14ClN3O3 — CID 22936472

IUPAC4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C17H14ClN3O3/c1-23-16-8-14-10(7-11(16)17(20)22)15(4-5-21-14)24-9-2-3-13(19)12(18)6-9/h2-8H,19H2,1H3,(H2,20,22)
InChIKeyOFQLBCBNNWFEPV-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.37
Rot. Bonds4

About 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide

4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 22936472) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
PubChem CID22936472
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C17H14ClN3O3/c1-23-16-8-14-10(7-11(16)17(20)22)15(4-5-21-14)24-9-2-3-13(19)12(18)6-9/h2-8H,19H2,1H3,(H2,20,22)
InChIKeyOFQLBCBNNWFEPV-UHFFFAOYSA-N
XLogP3.37
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Pamufetinib
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7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
4-[5-(Cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 11750694
4-[5-[(4-Chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824184
7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824452
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide
CID 52940860
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52941668
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
CID 52944070

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide (CID 22936472) is 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
The InChIKey is OFQLBCBNNWFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-23-16-8-14-10(7-11(16)17(20)22)15(4-5-21-14)24-9-2-3-13(19)12(18)6-9/h2-8H,19H2,1H3,(H2,20,22).
What are the key properties of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 22936472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).