7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C120H131F4N9O8 — CID 157214641

About 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 157214641) has the molecular formula C120H131F4N9O8 and a molecular weight of 1903.41 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

• Compound Name: 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
• PubChem CID: 157214641
• Molecular Formula: C120H131F4N9O8
• Molecular Weight: 1903.41 g/mol
• Exact Mass: 1902.01
• IUPAC Name: 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
• SMILES: CC(=O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)C(O)CCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)Nc3ccncc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1
• InChI: InChI=1S/C31H32F4N2O2.C30H32N2O3.C30H34N2O2.C29H33N3O/c1-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-15-28-29(16-24)39-19(2)18-37(28)30(38)36-27-14-13-25(32)17-26(27)31(33,34)35;1-21(33)19-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-28-29(20-26)35-18-17-32(28)30(34)31-27-5-3-2-4-6-27;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-27(20-25)29(33)18-19-32(28)30(34)31-26-6-4-3-5-7-26;1-2-21-5-7-22(8-6-21)23-9-11-24(12-10-23)25-13-14-28-26(20-25)4-3-19-32(28)29(33)31-27-15-17-30-18-16-27/h8-17,19-21H,3-7,18H2,1-2H3,(H,36,38);2-6,11-16,20,22-23H,7-10,17-19H2,1H3,(H,31,34);3-7,12-17,20-22,29,33H,2,8-11,18-19H2,1H3,(H,31,34);9-18,20-22H,2-8,19H2,1H3,(H,30,31,33)
• InChIKey: ASGUADFXOFWYKY-UHFFFAOYSA-N
• XLogP: 30.98
• TPSA: 198.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1903.41
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 157214641) is 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC(=O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)C(O)CCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)Nc3ccncc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1.

What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The InChIKey is ASGUADFXOFWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N2O2.C30H32N2O3.C30H34N2O2.C29H33N3O/c1-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-15-28-29(16-24)39-19(2)18-37(28)30(38)36-27-14-13-25(32)17-26(27)31(33,34)35;1-21(33)19-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-28-29(20-26)35-18-17-32(28)30(34)31-27-5-3-2-4-6-27;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-27(20-25)29(33)18-19-32(28)30(34)31-26-6-4-3-5-7-26;1-2-21-5-7-22(8-6-21)23-9-11-24(12-10-23)25-13-14-28-26(20-25)4-3-19-32(28)29(33)31-27-15-17-30-18-16-27/h8-17,19-21H,3-7,18H2,1-2H3,(H,36,38);2-6,11-16,20,22-23H,7-10,17-19H2,1H3,(H,31,34);3-7,12-17,20-22,29,33H,2,8-11,18-19H2,1H3,(H,31,34);9-18,20-22H,2-8,19H2,1H3,(H,30,31,33).

What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1903.41 g/mol, XLogP of 30.98, 17 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 157214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).