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

C146H153N11O19 — CID 159282914

IUPAC2-[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
SMILESCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)cc2O1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3cnc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C30H32N2O4.C30H32N2O3.2C29H30N2O4.C28H29N3O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)17-29(33)34;33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27;2*32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25;32-26(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-17-25-27(29-18-23)31(14-15-35-25)28(34)30-24-4-2-1-3-5-24/h2-6,11-16,18,20-22H,7-10,17,19H2,1H3,(H,31,35)(H,33,34);1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34);2*1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33);1-5,10-13,17-20H,6-9,14-16H2,(H,30,34)(H,32,33)
InChIKeyKZDMPKACEKUCFH-UHFFFAOYSA-N
MW2365.89 g/mol
LogP33.00
Rot. Bonds25

About 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

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 (PubChem CID 159282914) has the molecular formula C146H153N11O19 and a molecular weight of 2365.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159282914
Molecular FormulaC146H153N11O19
Molecular Weight2365.89 g/mol
Exact Mass2364.13
IUPAC Name2-[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
SMILESCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)cc2O1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3cnc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C30H32N2O4.C30H32N2O3.2C29H30N2O4.C28H29N3O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)17-29(33)34;33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27;2*32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25;32-26(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-17-25-27(29-18-23)31(14-15-35-25)28(34)30-24-4-2-1-3-5-24/h2-6,11-16,18,20-22H,7-10,17,19H2,1H3,(H,31,35)(H,33,34);1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34);2*1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33);1-5,10-13,17-20H,6-9,14-16H2,(H,30,34)(H,32,33)
InChIKeyKZDMPKACEKUCFH-UHFFFAOYSA-N
XLogP33.00
TPSA398.01 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002365.89
LogP ≤ 533.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

HG-9-91-01 derivative, 7
CID 121596784
2-[4-[4-[4-(Phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064402
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
4-[3-Oxo-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid
CID 10173879
4-[3-Oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid
CID 21962586
Methyl 4-[4-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]methyl]phenyl]benzoate
CID 58346076
Methyl 1-[5-[2-ethyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]piperidine-4-carboxylate
CID 58577819
2-[1-[5-[4-[(2-Ethylphenyl)carbamoyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]pyrrolidin-3-yl]acetic acid
CID 58577821
2-[1-[5-[2-Methyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]pyrrolidin-3-yl]acetic acid
CID 58577834
1-[5-[2-Methyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 58577837
1-[5-[2-Ethyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 58577850
1-[5-[4-[(2-Ethylphenyl)carbamoyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 58577887

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)cc2O1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.O=C(O)CC1CCC(c2ccc(-c3cnc4c(c3)OCCN4C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is KZDMPKACEKUCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4.C30H32N2O3.2C29H30N2O4.C28H29N3O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)17-29(33)34;33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27;2*32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25;32-26(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-17-25-27(29-18-23)31(14-15-35-25)28(34)30-24-4-2-1-3-5-24/h2-6,11-16,18,20-22H,7-10,17,19H2,1H3,(H,31,35)(H,33,34);1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34);2*1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33);1-5,10-13,17-20H,6-9,14-16H2,(H,30,34)(H,32,33).
What are the key properties of 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?
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 has a molecular weight of 2365.89 g/mol, XLogP of 33.00, 25 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159282914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).