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

C34H29ClF3N3O4 — CID 25032011

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)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)C)CC1
InChIInChI=1S/C34H29ClF3N3O4/c1-41(2)33(12-13-33)19-44-31-18-28-25(17-30(31)43-3)29(11-14-39-28)45-22-8-9-23-20(15-22)5-4-6-24(23)32(42)40-21-7-10-27(35)26(16-21)34(36,37)38/h4-11,14-18H,12-13,19H2,1-3H3,(H,40,42)
InChIKeyRVERCTYLYUCJTA-UHFFFAOYSA-N
MW636.07 g/mol
LogP8.59
Rot. Bonds9

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 25032011) has the molecular formula C34H29ClF3N3O4 and a molecular weight of 636.07 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID25032011
Molecular FormulaC34H29ClF3N3O4
Molecular Weight636.07 g/mol
Exact Mass635.18
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)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)C)CC1
InChIInChI=1S/C34H29ClF3N3O4/c1-41(2)33(12-13-33)19-44-31-18-28-25(17-30(31)43-3)29(11-14-39-28)45-22-8-9-23-20(15-22)5-4-6-24(23)32(42)40-21-7-10-27(35)26(16-21)34(36,37)38/h4-11,14-18H,12-13,19H2,1-3H3,(H,40,42)
InChIKeyRVERCTYLYUCJTA-UHFFFAOYSA-N
XLogP8.59
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.07
LogP ≤ 58.59
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-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide (CID 25032011) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)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)C)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is RVERCTYLYUCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClF3N3O4/c1-41(2)33(12-13-33)19-44-31-18-28-25(17-30(31)43-3)29(11-14-39-28)45-22-8-9-23-20(15-22)5-4-6-24(23)32(42)40-21-7-10-27(35)26(16-21)34(36,37)38/h4-11,14-18H,12-13,19H2,1-3H3,(H,40,42).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 636.07 g/mol, XLogP of 8.59, 9 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-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 25032011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).