N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C96H106ClF3N6O6 — CID 158747947

IUPACN-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)cc(C)nc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C34H38N2O.C31H35ClN2O2.C31H33F3N2O3/c1-5-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-19-30-31(20-23(4)35-33(30)21-28)34(37)36-32-9-7-6-8-29(32)22(2)3;1-3-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-29-30(19-25)36-26(4-2)20-34(29)31(35)33-28-8-6-5-7-27(28)32;1-3-21-4-6-22(7-5-21)23-8-10-24(11-9-23)25-12-17-28-29(18-25)38-20(2)19-36(28)30(37)35-26-13-15-27(16-14-26)39-31(32,33)34/h6-9,14-22,24-25H,5,10-13H2,1-4H3,(H,36,37);5-8,13-19,21-22,26H,3-4,9-12,20H2,1-2H3,(H,33,35);8-18,20-22H,3-7,19H2,1-2H3,(H,35,37)
InChIKeyINCOIONAWGKISC-UHFFFAOYSA-N
MW1532.39 g/mol
LogP26.93
Rot. Bonds16

About N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 158747947) has the molecular formula C96H106ClF3N6O6 and a molecular weight of 1532.39 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID158747947
Molecular FormulaC96H106ClF3N6O6
Molecular Weight1532.39 g/mol
Exact Mass1530.78
IUPAC NameN-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)cc(C)nc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C34H38N2O.C31H35ClN2O2.C31H33F3N2O3/c1-5-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-19-30-31(20-23(4)35-33(30)21-28)34(37)36-32-9-7-6-8-29(32)22(2)3;1-3-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-29-30(19-25)36-26(4-2)20-34(29)31(35)33-28-8-6-5-7-27(28)32;1-3-21-4-6-22(7-5-21)23-8-10-24(11-9-23)25-12-17-28-29(18-25)38-20(2)19-36(28)30(37)35-26-13-15-27(16-14-26)39-31(32,33)34/h6-9,14-22,24-25H,5,10-13H2,1-4H3,(H,36,37);5-8,13-19,21-22,26H,3-4,9-12,20H2,1-2H3,(H,33,35);8-18,20-22H,3-7,19H2,1-2H3,(H,35,37)
InChIKeyINCOIONAWGKISC-UHFFFAOYSA-N
XLogP26.93
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.39
LogP ≤ 526.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 158020602
7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane
CID 158041874
7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
CID 158333534
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
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylquinolin-1-ium-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)quinoline-4-carboxamide;hydroxide
CID 161034918
(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-[[2-[4-[2-[4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]anilino]-2-oxoethyl]phenyl]acetyl]amino]phenyl]prop-2-enamide
CID 16136733
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]carbamoylamino]-N-methylacetamide;dihydrochloride
CID 19710625
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]carbamoylamino]-N-methylacetamide
CID 19710626
2-[(3-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(4-chloro-2-ethylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 22112911
ethyl 4-[3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]benzoyl]piperazine-1-carboxylate
CID 22112914
3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)-N-methylbenzamide;hydrochloride
CID 22112915
3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)-N-methylbenzamide
CID 22112916

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 158747947) is N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)cc(C)nc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is INCOIONAWGKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O.C31H35ClN2O2.C31H33F3N2O3/c1-5-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-19-30-31(20-23(4)35-33(30)21-28)34(37)36-32-9-7-6-8-29(32)22(2)3;1-3-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-29-30(19-25)36-26(4-2)20-34(29)31(35)33-28-8-6-5-7-27(28)32;1-3-21-4-6-22(7-5-21)23-8-10-24(11-9-23)25-12-17-28-29(18-25)38-20(2)19-36(28)30(37)35-26-13-15-27(16-14-26)39-31(32,33)34/h6-9,14-22,24-25H,5,10-13H2,1-4H3,(H,36,37);5-8,13-19,21-22,26H,3-4,9-12,20H2,1-2H3,(H,33,35);8-18,20-22H,3-7,19H2,1-2H3,(H,35,37).
What are the key properties of N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1532.39 g/mol, XLogP of 26.93, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 158747947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).