1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C120H135N8O8+ — CID 160654144

IUPAC1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC(C)C1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-[n+]3ccc4c(c3)OC(C)C(=O)N4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)C(O)c3ccccc3)cc2)CC1.CCC1CCC(c2ccc(N3CCc4c(cccc4C(=O)Nc4ccccc4)C3)cc2)CC1
InChIInChI=1S/C31H35NO2.C30H34N2O2.C30H34N2O.C29H31N3O3/c1-2-22-10-12-23(13-11-22)24-14-16-25(17-15-24)27-18-19-29-28(21-27)9-6-20-32(29)31(34)30(33)26-7-4-3-5-8-26;1-21(2)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-17-28-29(20-26)34-19-18-32(28)30(33)31-27-6-4-3-5-7-27;1-2-22-11-13-23(14-12-22)24-15-17-27(18-16-24)32-20-19-28-25(21-32)7-6-10-29(28)30(33)31-26-8-4-3-5-9-26;1-3-21-9-11-22(12-10-21)23-13-15-25(16-14-23)31-18-17-26-27(19-31)35-20(2)28(33)32(26)29(34)30-24-7-5-4-6-8-24/h3-5,7-8,14-19,21-23,30,33H,2,6,9-13,20H2,1H3;3-7,12-17,20-23H,8-11,18-19H2,1-2H3,(H,31,33);3-10,15-18,22-23H,2,11-14,19-21H2,1H3,(H,31,33);4-8,13-22H,3,9-12H2,1-2H3/p+1
InChIKeyLTOVZEVQCZRTPM-UHFFFAOYSA-O
MW1817.45 g/mol
LogP27.94
Rot. Bonds18

About 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 160654144) has the molecular formula C120H135N8O8+ and a molecular weight of 1817.45 g/mol. Its IUPAC name is 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID160654144
Molecular FormulaC120H135N8O8+
Molecular Weight1817.45 g/mol
Exact Mass1816.04
IUPAC Name1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC(C)C1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-[n+]3ccc4c(c3)OC(C)C(=O)N4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)C(O)c3ccccc3)cc2)CC1.CCC1CCC(c2ccc(N3CCc4c(cccc4C(=O)Nc4ccccc4)C3)cc2)CC1
InChIInChI=1S/C31H35NO2.C30H34N2O2.C30H34N2O.C29H31N3O3/c1-2-22-10-12-23(13-11-22)24-14-16-25(17-15-24)27-18-19-29-28(21-27)9-6-20-32(29)31(34)30(33)26-7-4-3-5-8-26;1-21(2)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-17-28-29(20-26)34-19-18-32(28)30(33)31-27-6-4-3-5-7-27;1-2-22-11-13-23(14-12-22)24-15-17-27(18-16-24)32-20-19-28-25(21-32)7-6-10-29(28)30(33)31-26-8-4-3-5-9-26;1-3-21-9-11-22(12-10-21)23-13-15-25(16-14-23)31-18-17-26-27(19-31)35-20(2)28(33)32(26)29(34)30-24-7-5-4-6-8-24/h3-5,7-8,14-19,21-23,30,33H,2,6,9-13,20H2,1H3;3-7,12-17,20-23H,8-11,18-19H2,1-2H3,(H,31,33);3-10,15-18,22-23H,2,11-14,19-21H2,1H3,(H,31,33);4-8,13-22H,3,9-12H2,1-2H3/p+1
InChIKeyLTOVZEVQCZRTPM-UHFFFAOYSA-O
XLogP27.94
TPSA176.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001817.45
LogP ≤ 527.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

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
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
2-[4-[4-[2-methyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid;bis(2-[4-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid);2-[4-[4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]phenyl]cyclohexyl]acetic acid;2-[4-[4-[1-(phenylcarbamoyl)-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclohexyl]acetic acid
CID 159282914
N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
CID 161015765
N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
CID 161355894
2-ethyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-(2-ethylphenyl)-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propylphenyl)quinoline-4-carboxamide
CID 161618129

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 160654144) is 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC(C)C1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-[n+]3ccc4c(c3)OC(C)C(=O)N4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)C(O)c3ccccc3)cc2)CC1.CCC1CCC(c2ccc(N3CCc4c(cccc4C(=O)Nc4ccccc4)C3)cc2)CC1.
What is the InChIKey of 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is LTOVZEVQCZRTPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H35NO2.C30H34N2O2.C30H34N2O.C29H31N3O3/c1-2-22-10-12-23(13-11-22)24-14-16-25(17-15-24)27-18-19-29-28(21-27)9-6-20-32(29)31(34)30(33)26-7-4-3-5-8-26;1-21(2)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-17-28-29(20-26)34-19-18-32(28)30(33)31-27-6-4-3-5-7-27;1-2-22-11-13-23(14-12-22)24-15-17-27(18-16-24)32-20-19-28-25(21-32)7-6-10-29(28)30(33)31-26-8-4-3-5-9-26;1-3-21-9-11-22(12-10-21)23-13-15-25(16-14-23)31-18-17-26-27(19-31)35-20(2)28(33)32(26)29(34)30-24-7-5-4-6-8-24/h3-5,7-8,14-19,21-23,30,33H,2,6,9-13,20H2,1H3;3-7,12-17,20-23H,8-11,18-19H2,1-2H3,(H,31,33);3-10,15-18,22-23H,2,11-14,19-21H2,1H3,(H,31,33);4-8,13-22H,3,9-12H2,1-2H3/p+1.
What are the key properties of 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1817.45 g/mol, XLogP of 27.94, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(4-ethylcyclohexyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-hydroxy-2-phenylethanone;6-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-2-oxo-N-phenylpyrido[3,4-b][1,4]oxazin-6-ium-1-carboxamide;2-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-5-carboxamide;N-phenyl-7-[4-(4-propan-2-ylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 160654144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).