7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C124H136N10O8S — CID 158125208

About 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 158125208) has the molecular formula C124H136N10O8S and a molecular weight of 1926.58 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

• Compound Name: 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
• PubChem CID: 158125208
• Molecular Formula: C124H136N10O8S
• Molecular Weight: 1926.58 g/mol
• Exact Mass: 1925.03
• IUPAC Name: 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
• SMILES: C=S(C)(=O)NC(=O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccn5)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)(C)CN4C(=O)Nc3ccccc3)cc2)CC1
• InChI: InChI=1S/C33H36N2O.C31H35N3O4S.C31H36N2O2.C29H29N3O/c1-4-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-29-30(19-20-34-32(29)21-27)33(36)35-31-8-6-5-7-28(31)22(2)3;1-39(2,37)33-30(35)20-22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-17-28-29(21-26)38-19-18-34(28)31(36)32-27-6-4-3-5-7-27;1-4-22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-19-28-29(20-26)35-31(2,3)21-33(28)30(34)32-27-8-6-5-7-9-27;1-2-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-25-26(16-18-30-27(25)19-24)29(33)32-28-5-3-4-17-31-28/h5-8,13-24H,4,9-12H2,1-3H3,(H,35,36);3-7,12-17,21-23H,1,8-11,18-20H2,2H3,(H,32,36)(H,33,35,37);5-9,14-20,22-23H,4,10-13,21H2,1-3H3,(H,32,34);3-5,10-21H,2,6-9H2,1H3,(H,31,32,33)
• InChIKey: FSBUMFAEOUYJIR-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 226.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.58
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 158125208) is 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is C=S(C)(=O)NC(=O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccn5)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)(C)CN4C(=O)Nc3ccccc3)cc2)CC1.

What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

The InChIKey is FSBUMFAEOUYJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O.C31H35N3O4S.C31H36N2O2.C29H29N3O/c1-4-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-29-30(19-20-34-32(29)21-27)33(36)35-31-8-6-5-7-28(31)22(2)3;1-39(2,37)33-30(35)20-22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-17-28-29(21-26)38-19-18-34(28)31(36)32-27-6-4-3-5-7-27;1-4-22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-19-28-29(20-26)35-31(2,3)21-33(28)30(34)32-27-8-6-5-7-9-27;1-2-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-25-26(16-18-30-27(25)19-24)29(33)32-28-5-3-4-17-31-28/h5-8,13-24H,4,9-12H2,1-3H3,(H,35,36);3-7,12-17,21-23H,1,8-11,18-20H2,2H3,(H,32,36)(H,33,35,37);5-9,14-20,22-23H,4,10-13,21H2,1-3H3,(H,32,34);3-5,10-21H,2,6-9H2,1H3,(H,31,32,33).

What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?

7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1926.58 g/mol, XLogP of 30.27, 21 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4-ethylcyclohexyl)phenyl]-2,2-dimethyl-N-phenyl-3H-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-2-ylquinoline-4-carboxamide;7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 158125208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).