N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide

C37H33ClF3N3O4 — CID 25030932

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N(C)CC2CC2)CC1
InChIInChI=1S/C37H33ClF3N3O4/c1-44(20-22-6-7-22)36(13-14-36)21-47-34-19-31-28(18-33(34)46-2)32(12-15-42-31)48-25-9-10-26-23(16-25)4-3-5-27(26)35(45)43-24-8-11-30(38)29(17-24)37(39,40)41/h3-5,8-12,15-19,22H,6-7,13-14,20-21H2,1-2H3,(H,43,45)
InChIKeyLJUJWVJAVINGCE-UHFFFAOYSA-N
MW676.14 g/mol
LogP9.37
Rot. Bonds11

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 25030932) has the molecular formula C37H33ClF3N3O4 and a molecular weight of 676.14 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID25030932
Molecular FormulaC37H33ClF3N3O4
Molecular Weight676.14 g/mol
Exact Mass675.21
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N(C)CC2CC2)CC1
InChIInChI=1S/C37H33ClF3N3O4/c1-44(20-22-6-7-22)36(13-14-36)21-47-34-19-31-28(18-33(34)46-2)32(12-15-42-31)48-25-9-10-26-23(16-25)4-3-5-27(26)35(45)43-24-8-11-30(38)29(17-24)37(39,40)41/h3-5,8-12,15-19,22H,6-7,13-14,20-21H2,1-2H3,(H,43,45)
InChIKeyLJUJWVJAVINGCE-UHFFFAOYSA-N
XLogP9.37
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.14
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide (CID 25030932) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide is COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N(C)CC2CC2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is LJUJWVJAVINGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33ClF3N3O4/c1-44(20-22-6-7-22)36(13-14-36)21-47-34-19-31-28(18-33(34)46-2)32(12-15-42-31)48-25-9-10-26-23(16-25)4-3-5-27(26)35(45)43-24-8-11-30(38)29(17-24)37(39,40)41/h3-5,8-12,15-19,22H,6-7,13-14,20-21H2,1-2H3,(H,43,45).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 676.14 g/mol, XLogP of 9.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-[cyclopropylmethyl(methyl)amino]cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 25030932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).