4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide

C37H28Cl2N4O6 — CID 157234662

IUPAC4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4ccc(Oc5ccnc6cc(C)c(C(N)=O)cc56)cc4Cl)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C37H28Cl2N4O6/c1-19-11-31-26(16-25(19)36(40)45)33(7-9-42-31)48-23-5-3-20(29(38)14-23)12-22(44)13-21-4-6-24(15-30(21)39)49-34-8-10-43-32-18-35(47-2)28(37(41)46)17-27(32)34/h3-11,14-18H,12-13H2,1-2H3,(H2,40,45)(H2,41,46)
InChIKeyOAAOCHXIPYEDCU-UHFFFAOYSA-N
MW695.56 g/mol
LogP7.54
Rot. Bonds11

About 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide

4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide (PubChem CID 157234662) has the molecular formula C37H28Cl2N4O6 and a molecular weight of 695.56 g/mol. Its IUPAC name is 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
PubChem CID157234662
Molecular FormulaC37H28Cl2N4O6
Molecular Weight695.56 g/mol
Exact Mass694.14
IUPAC Name4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4ccc(Oc5ccnc6cc(C)c(C(N)=O)cc56)cc4Cl)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C37H28Cl2N4O6/c1-19-11-31-26(16-25(19)36(40)45)33(7-9-42-31)48-23-5-3-20(29(38)14-23)12-22(44)13-21-4-6-24(15-30(21)39)49-34-8-10-43-32-18-35(47-2)28(37(41)46)17-27(32)34/h3-11,14-18H,12-13H2,1-2H3,(H2,40,45)(H2,41,46)
InChIKeyOAAOCHXIPYEDCU-UHFFFAOYSA-N
XLogP7.54
TPSA156.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.56
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[3-(3-tert-butyl-1-propanoylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 157181721
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
4-[3-chloro-4-[(4-chlorophenyl)methylcarbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333848
4-[3-chloro-4-[(1,2,2,3,3-pentadeuteriocyclopropyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 162640491
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
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-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide?
The IUPAC name of 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide (CID 157234662) is 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)Cc4ccc(Oc5ccnc6cc(C)c(C(N)=O)cc56)cc4Cl)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide?
The InChIKey is OAAOCHXIPYEDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28Cl2N4O6/c1-19-11-31-26(16-25(19)36(40)45)33(7-9-42-31)48-23-5-3-20(29(38)14-23)12-22(44)13-21-4-6-24(15-30(21)39)49-34-8-10-43-32-18-35(47-2)28(37(41)46)17-27(32)34/h3-11,14-18H,12-13H2,1-2H3,(H2,40,45)(H2,41,46).
What are the key properties of 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide?
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide has a molecular weight of 695.56 g/mol, XLogP of 7.54, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide is sourced from PubChem (CID 157234662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).