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

C34H30ClF3N4O3 — CID 25031732

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide
SMILESCOc1cc2c(Nc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C34H30ClF3N4O3/c1-42(2)33(12-13-33)19-45-31-18-29-25(17-30(31)44-3)28(11-14-39-29)40-21-7-9-23-20(15-21)5-4-6-24(23)32(43)41-22-8-10-27(35)26(16-22)34(36,37)38/h4-11,14-18H,12-13,19H2,1-3H3,(H,39,40)(H,41,43)
InChIKeyPFUCGOIMAORGMH-UHFFFAOYSA-N
MW635.09 g/mol
LogP8.54
Rot. Bonds9

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide (PubChem CID 25031732) has the molecular formula C34H30ClF3N4O3 and a molecular weight of 635.09 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide
PubChem CID25031732
Molecular FormulaC34H30ClF3N4O3
Molecular Weight635.09 g/mol
Exact Mass634.20
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide
SMILESCOc1cc2c(Nc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C34H30ClF3N4O3/c1-42(2)33(12-13-33)19-45-31-18-29-25(17-30(31)44-3)28(11-14-39-29)40-21-7-9-23-20(15-21)5-4-6-24(23)32(43)41-22-8-10-27(35)26(16-22)34(36,37)38/h4-11,14-18H,12-13,19H2,1-3H3,(H,39,40)(H,41,43)
InChIKeyPFUCGOIMAORGMH-UHFFFAOYSA-N
XLogP8.54
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.09
LogP ≤ 58.54
H-Bond Donors ≤ 52
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]amino]naphthalene-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide (CID 25031732) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide is COc1cc2c(Nc3ccc4c(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]amino]naphthalene-1-carboxamide?
The InChIKey is PFUCGOIMAORGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30ClF3N4O3/c1-42(2)33(12-13-33)19-45-31-18-29-25(17-30(31)44-3)28(11-14-39-29)40-21-7-9-23-20(15-21)5-4-6-24(23)32(43)41-22-8-10-27(35)26(16-22)34(36,37)38/h4-11,14-18H,12-13,19H2,1-3H3,(H,39,40)(H,41,43).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide has a molecular weight of 635.09 g/mol, XLogP of 8.54, 9 rotatable bonds, 2 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]amino]naphthalene-1-carboxamide is sourced from PubChem (CID 25031732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).