4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate

C94H105ClN6O23 — CID 158662999

IUPAC4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate
SMILESC.C.C.C.C.COC(=O)c1cc(OC)c(OCc2ccccc2)cc1N.COC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-].COC(=O)c1ccc(O)c(OC)c1.COC(=O)c1ccc(OCc2ccccc2)c(OC)c1.COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1.COc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2O2.C16H14N2O3.C16H15NO6.C16H17NO4.C16H16O4.C9H10O4.5CH4/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11;1-21-14-8-12(16(18)22-2)13(17(19)20)9-15(14)23-10-11-6-4-3-5-7-11;1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11;1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12;1-12-8-5-6(9(11)13-2)3-4-7(8)10;;;;;/h2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,17,18,19);3-9H,10H2,1-2H3;3-9H,10,17H2,1-2H3;3-10H,11H2,1-2H3;3-5,10H,1-2H3;5*1H4
InChIKeyICZLHWGQXIUJJU-UHFFFAOYSA-N
MW1722.35 g/mol
LogP19.42
Rot. Bonds26

About 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate

4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 158662999) has the molecular formula C94H105ClN6O23 and a molecular weight of 1722.35 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate
PubChem CID158662999
Molecular FormulaC94H105ClN6O23
Molecular Weight1722.35 g/mol
Exact Mass1720.69
IUPAC Name4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate
SMILESC.C.C.C.C.COC(=O)c1cc(OC)c(OCc2ccccc2)cc1N.COC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-].COC(=O)c1ccc(O)c(OC)c1.COC(=O)c1ccc(OCc2ccccc2)c(OC)c1.COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1.COc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2O2.C16H14N2O3.C16H15NO6.C16H17NO4.C16H16O4.C9H10O4.5CH4/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11;1-21-14-8-12(16(18)22-2)13(17(19)20)9-15(14)23-10-11-6-4-3-5-7-11;1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11;1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12;1-12-8-5-6(9(11)13-2)3-4-7(8)10;;;;;/h2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,17,18,19);3-9H,10H2,1-2H3;3-9H,10,17H2,1-2H3;3-10H,11H2,1-2H3;3-5,10H,1-2H3;5*1H4
InChIKeyICZLHWGQXIUJJU-UHFFFAOYSA-N
XLogP19.42
TPSA367.65 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.35
LogP ≤ 519.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
CID 135767194
5-methoxy-2-nitro-4-phenylmethoxybenzoyl chloride
CID 12506411
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
(3-methoxycarbonylphenyl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666714
2-amino-5-butoxy-4-methoxybenzoic acid;6-butoxy-4-chloro-7-methoxyquinazoline;5-butoxy-4-methoxy-2-nitrobenzaldehyde;6-butoxy-7-methoxy-3H-quinazolin-4-one;3-chloro-4-fluoroaniline;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]morpholine;3-hydroxy-4-methoxybenzaldehyde;5-hydroxy-4-methoxy-2-nitrobenzaldehyde;methane;morpholine;nitric acid
CID 160914986
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213685
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256
methyl 3,4-bis(trideuteriomethoxy)benzoate;methyl 2-nitro-4,5-bis(trideuteriomethoxy)benzoate
CID 158112474
1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)piperidin-4-one
CID 163738613
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate (CID 158662999) is 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate is C.C.C.C.C.COC(=O)c1cc(OC)c(OCc2ccccc2)cc1N.COC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-].COC(=O)c1ccc(O)c(OC)c1.COC(=O)c1ccc(OCc2ccccc2)c(OC)c1.COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1.COc1cc2c(Cl)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is ICZLHWGQXIUJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2.C16H14N2O3.C16H15NO6.C16H17NO4.C16H16O4.C9H10O4.5CH4/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11;1-21-14-8-12(16(18)22-2)13(17(19)20)9-15(14)23-10-11-6-4-3-5-7-11;1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11;1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12;1-12-8-5-6(9(11)13-2)3-4-7(8)10;;;;;/h2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,17,18,19);3-9H,10H2,1-2H3;3-9H,10,17H2,1-2H3;3-10H,11H2,1-2H3;3-5,10H,1-2H3;5*1H4.
What are the key properties of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate?
4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 1722.35 g/mol, XLogP of 19.42, 26 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;methane;6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one;methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate;methyl 4-hydroxy-3-methoxybenzoate;methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;methyl 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 158662999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).