N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide

C97H110N6O7 — CID 161200525

IUPACN-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide
SMILESC=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCCCC)cc2)CC1
InChIInChI=1S/C34H36N2O2.C32H32N2O2.C31H42N2O3/c1-23-20-32(34(38)35-19-18-25-6-4-3-5-7-25)31-17-16-30(22-33(31)36-23)29-14-12-28(13-15-29)27-10-8-26(9-11-27)21-24(2)37;1-21-18-30(32(36)34-28-6-4-3-5-7-28)29-17-16-27(20-31(29)33-21)26-14-12-25(13-15-26)24-10-8-23(9-11-24)19-22(2)35;1-4-5-6-7-18-32-31(35)33-21-23(3)36-30-20-28(16-17-29(30)33)27-14-12-26(13-15-27)25-10-8-24(9-11-25)19-22(2)34/h3-7,12-17,20,22,26-27,37H,2,8-11,18-19,21H2,1H3,(H,35,38);3-7,12-18,20,23-24,35H,2,8-11,19H2,1H3,(H,34,36);12-17,20,23-25,34H,2,4-11,18-19,21H2,1,3H3,(H,32,35)
InChIKeyUUXMVTHDMQYPBM-UHFFFAOYSA-N
MW1471.98 g/mol
LogP24.08
Rot. Bonds23

About N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide

N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide (PubChem CID 161200525) has the molecular formula C97H110N6O7 and a molecular weight of 1471.98 g/mol. Its IUPAC name is N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide
PubChem CID161200525
Molecular FormulaC97H110N6O7
Molecular Weight1471.98 g/mol
Exact Mass1470.84
IUPAC NameN-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide
SMILESC=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCCCC)cc2)CC1
InChIInChI=1S/C34H36N2O2.C32H32N2O2.C31H42N2O3/c1-23-20-32(34(38)35-19-18-25-6-4-3-5-7-25)31-17-16-30(22-33(31)36-23)29-14-12-28(13-15-29)27-10-8-26(9-11-27)21-24(2)37;1-21-18-30(32(36)34-28-6-4-3-5-7-28)29-17-16-27(20-31(29)33-21)26-14-12-25(13-15-26)24-10-8-23(9-11-24)19-22(2)35;1-4-5-6-7-18-32-31(35)33-21-23(3)36-30-20-28(16-17-29(30)33)27-14-12-26(13-15-27)25-10-8-24(9-11-25)19-22(2)34/h3-7,12-17,20,22,26-27,37H,2,8-11,18-19,21H2,1H3,(H,35,38);3-7,12-18,20,23-24,35H,2,8-11,19H2,1H3,(H,34,36);12-17,20,23-25,34H,2,4-11,18-19,21H2,1,3H3,(H,32,35)
InChIKeyUUXMVTHDMQYPBM-UHFFFAOYSA-N
XLogP24.08
TPSA186.24 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.98
LogP ≤ 524.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide with MolForge

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Related Compounds

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N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methyl-4-phenylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
CID 45259996
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
CID 45260041
4-((E)-2-{[2'',4''-Dimethyl-3''-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-2-ylmethyl]-carbamoyl}-vinyl)-N-methyl-benzamide
CID 9894265
4-[(E)-3-[3-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 10626599
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CID 10744917
N-(2-methoxyphenyl)-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 141507755
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
4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-4-phenyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride
CID 11239019
N-[5-(4-aminophenyl)-3-fluoro-2-methoxyphenyl]-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
CID 58440677
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

Frequently Asked Questions

What is the IUPAC name of N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide?
The IUPAC name of N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide (CID 161200525) is N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide?
The canonical SMILES for N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide is C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCCCC)cc2)CC1.
What is the InChIKey of N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide?
The InChIKey is UUXMVTHDMQYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O2.C32H32N2O2.C31H42N2O3/c1-23-20-32(34(38)35-19-18-25-6-4-3-5-7-25)31-17-16-30(22-33(31)36-23)29-14-12-28(13-15-29)27-10-8-26(9-11-27)21-24(2)37;1-21-18-30(32(36)34-28-6-4-3-5-7-28)29-17-16-27(20-31(29)33-21)26-14-12-25(13-15-26)24-10-8-23(9-11-24)19-22(2)35;1-4-5-6-7-18-32-31(35)33-21-23(3)36-30-20-28(16-17-29(30)33)27-14-12-26(13-15-27)25-10-8-24(9-11-25)19-22(2)34/h3-7,12-17,20,22,26-27,37H,2,8-11,18-19,21H2,1H3,(H,35,38);3-7,12-18,20,23-24,35H,2,8-11,19H2,1H3,(H,34,36);12-17,20,23-25,34H,2,4-11,18-19,21H2,1,3H3,(H,32,35).
What are the key properties of N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide?
N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide has a molecular weight of 1471.98 g/mol, XLogP of 24.08, 23 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-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-(2-phenylethyl)quinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 161200525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).