4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide

C23H18ClN3O4 — CID 175038142

IUPAC4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide
SMILESCOc1cc2nc(Oc3ccccc3)cc(Oc3ccc(N)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C23H18ClN3O4/c1-29-20-11-19-15(10-16(20)23(26)28)21(30-14-7-8-18(25)17(24)9-14)12-22(27-19)31-13-5-3-2-4-6-13/h2-12H,25H2,1H3,(H2,26,28)
InChIKeyVSUBSTUZMWTXCJ-UHFFFAOYSA-N
MW435.87 g/mol
LogP5.16
Rot. Bonds6

About 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide

4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide (PubChem CID 175038142) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide
PubChem CID175038142
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC Name4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide
SMILESCOc1cc2nc(Oc3ccccc3)cc(Oc3ccc(N)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C23H18ClN3O4/c1-29-20-11-19-15(10-16(20)23(26)28)21(30-14-7-8-18(25)17(24)9-14)12-22(27-19)31-13-5-3-2-4-6-13/h2-12H,25H2,1H3,(H2,26,28)
InChIKeyVSUBSTUZMWTXCJ-UHFFFAOYSA-N
XLogP5.16
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.87
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-2-chloro-7-methoxyquinoline-6-carboxamide
CID 147452621
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[3-chloro-4-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333804

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide (CID 175038142) is 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide is COc1cc2nc(Oc3ccccc3)cc(Oc3ccc(N)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide?
The InChIKey is VSUBSTUZMWTXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c1-29-20-11-19-15(10-16(20)23(26)28)21(30-14-7-8-18(25)17(24)9-14)12-22(27-19)31-13-5-3-2-4-6-13/h2-12H,25H2,1H3,(H2,26,28).
What are the key properties of 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide?
4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide has a molecular weight of 435.87 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-7-methoxy-2-phenoxyquinoline-6-carboxamide is sourced from PubChem (CID 175038142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).