N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide

C96H96F4N6O7 — CID 160667843

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESC=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C34H36N2O2.C31H30F4N2O3.C31H30N2O2/c1-22(2)29-6-4-5-7-32(29)36-34(38)31-18-19-35-33-21-28(16-17-30(31)33)27-14-12-26(13-15-27)25-10-8-24(9-11-25)20-23(3)37;1-19(38)16-20-2-4-21(5-3-20)22-6-8-23(9-7-22)24-10-13-28-29(17-24)40-15-14-37(28)30(39)36-27-12-11-25(32)18-26(27)31(33,34)35;1-21(34)19-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-28-29(17-18-32-30(28)20-26)31(35)33-27-5-3-2-4-6-27/h4-7,12-19,21-22,24-25,37H,3,8-11,20H2,1-2H3,(H,36,38);6-13,17-18,20-21,38H,1-5,14-16H2,(H,36,39);2-6,11-18,20,22-23,34H,1,7-10,19H2,(H,33,35)
InChIKeyRMNSLOXNVNOCGJ-UHFFFAOYSA-N
MW1521.85 g/mol
LogP25.58
Rot. Bonds18

About N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 160667843) has the molecular formula C96H96F4N6O7 and a molecular weight of 1521.85 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID160667843
Molecular FormulaC96H96F4N6O7
Molecular Weight1521.85 g/mol
Exact Mass1520.73
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESC=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C34H36N2O2.C31H30F4N2O3.C31H30N2O2/c1-22(2)29-6-4-5-7-32(29)36-34(38)31-18-19-35-33-21-28(16-17-30(31)33)27-14-12-26(13-15-27)25-10-8-24(9-11-25)20-23(3)37;1-19(38)16-20-2-4-21(5-3-20)22-6-8-23(9-7-22)24-10-13-28-29(17-24)40-15-14-37(28)30(39)36-27-12-11-25(32)18-26(27)31(33,34)35;1-21(34)19-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-28-29(17-18-32-30(28)20-26)31(35)33-27-5-3-2-4-6-27/h4-7,12-19,21-22,24-25,37H,3,8-11,20H2,1-2H3,(H,36,38);6-13,17-18,20-21,38H,1-5,14-16H2,(H,36,39);2-6,11-18,20,22-23,34H,1,7-10,19H2,(H,33,35)
InChIKeyRMNSLOXNVNOCGJ-UHFFFAOYSA-N
XLogP25.58
TPSA186.24 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.85
LogP ≤ 525.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11866436, Example 165
CID 164915172
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(quinolin-4-yl)pyridin-2-yloxy)benzamide
CID 16108993
US11866436, Example 38
CID 164915118
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-[3-[4-[4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]benzoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-methylphenyl]pyridine-2-carboxamide
CID 177644867
5-[(1,3-dihydroxypropan-2-ylamino)methyl]-N-[3-[4-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]benzoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-methylphenyl]pyridine-2-carboxamide
CID 177645428
US11116760, Example 291
CID 146615314
[4-(3-Ethoxyphenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 20393901
11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
CID 58744285
4-methyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-6-yl]-N-[2-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 58829822
4-methyl-N-[2-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-3-[2-(3-morpholin-4-ylpropylamino)quinazolin-6-yl]benzamide
CID 58829891
N-[(S)-(8-methoxyquinolin-3-yl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144454
N-[(8-methoxyquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
CID 71144456

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide (CID 160667843) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide is C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is RMNSLOXNVNOCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O2.C31H30F4N2O3.C31H30N2O2/c1-22(2)29-6-4-5-7-32(29)36-34(38)31-18-19-35-33-21-28(16-17-30(31)33)27-14-12-26(13-15-27)25-10-8-24(9-11-25)20-23(3)37;1-19(38)16-20-2-4-21(5-3-20)22-6-8-23(9-7-22)24-10-13-28-29(17-24)40-15-14-37(28)30(39)36-27-12-11-25(32)18-26(27)31(33,34)35;1-21(34)19-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-28-29(17-18-32-30(28)20-26)31(35)33-27-5-3-2-4-6-27/h4-7,12-19,21-22,24-25,37H,3,8-11,20H2,1-2H3,(H,36,38);6-13,17-18,20-21,38H,1-5,14-16H2,(H,36,39);2-6,11-18,20,22-23,34H,1,7-10,19H2,(H,33,35).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 1521.85 g/mol, XLogP of 25.58, 18 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 160667843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).