N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide

C30H28F3N3O5 — CID 155809874

IUPACN-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
SMILESCOc1cc2cc(Oc3ccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cc3)c(C)nc2cc1OC
InChIInChI=1S/C30H28F3N3O5/c1-18-26(15-20-16-27(38-2)28(39-3)17-24(20)34-18)41-22-7-5-21(6-8-22)35-29(37)19-4-9-25(23(14-19)30(31,32)33)36-10-12-40-13-11-36/h4-9,14-17H,10-13H2,1-3H3,(H,35,37)
InChIKeyCSEIRIMOHZPSDT-UHFFFAOYSA-N
MW567.56 g/mol
LogP6.46
Rot. Bonds7

About N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide

N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (PubChem CID 155809874) has the molecular formula C30H28F3N3O5 and a molecular weight of 567.56 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
PubChem CID155809874
Molecular FormulaC30H28F3N3O5
Molecular Weight567.56 g/mol
Exact Mass567.20
IUPAC NameN-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
SMILESCOc1cc2cc(Oc3ccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cc3)c(C)nc2cc1OC
InChIInChI=1S/C30H28F3N3O5/c1-18-26(15-20-16-27(38-2)28(39-3)17-24(20)34-18)41-22-7-5-21(6-8-22)35-29(37)19-4-9-25(23(14-19)30(31,32)33)36-10-12-40-13-11-36/h4-9,14-17H,10-13H2,1-3H3,(H,35,37)
InChIKeyCSEIRIMOHZPSDT-UHFFFAOYSA-N
XLogP6.46
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide
CID 155812930
methyl 1-[4-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-b]pyridine-5-carboxylate
CID 46224238
3-methoxy-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 16761441
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]urea
CID 164517442
4-chloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155811442
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 16579252
N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 53375899
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (CID 155809874) is N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is COc1cc2cc(Oc3ccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cc3)c(C)nc2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The InChIKey is CSEIRIMOHZPSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O5/c1-18-26(15-20-16-27(38-2)28(39-3)17-24(20)34-18)41-22-7-5-21(6-8-22)35-29(37)19-4-9-25(23(14-19)30(31,32)33)36-10-12-40-13-11-36/h4-9,14-17H,10-13H2,1-3H3,(H,35,37).
What are the key properties of N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide has a molecular weight of 567.56 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155809874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).