2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride

C76H80Cl4N14O19 — CID 157442142

IUPAC2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride
SMILESCOc1cc(N)c(C(=O)O)cc1OC.COc1cc2nc[nH]c(=O)c2cc1C.COc1cc2nc[nH]c(=O)c2cc1O.COc1cc2nc[nH]c(=O)c2cc1OC.COc1cc2ncnc(Cl)c2cc1C.COc1cc2ncnc(Cl)c2cc1O.COc1cc2ncnc(Cl)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C19H24ClN3O4.C10H9ClN2O.C10H10N2O3.C10H10N2O2.C9H7ClN2O2.C9H8N2O3.C9H11NO4.ClH/c1-19(2,3)27-18(24)23-7-5-12(6-8-23)26-16-9-13-14(10-15(16)25-4)21-11-22-17(13)20;1-6-3-7-8(4-9(6)14-2)12-5-13-10(7)11;1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;1-6-3-7-8(4-9(6)14-2)11-5-12-10(7)13;1-14-8-3-6-5(2-7(8)13)9(10)12-4-11-6;1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6;1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;/h9-12H,5-8H2,1-4H3;3-5H,1-2H3;3-5H,1-2H3,(H,11,12,13);3-5H,1-2H3,(H,11,12,13);2-4,13H,1H3;2-4,12H,1H3,(H,10,11,13);3-4H,10H2,1-2H3,(H,11,12);1H
InChIKeyWQTMZCIWHKQGDY-UHFFFAOYSA-N
MW1635.37 g/mol
LogP12.89
Rot. Bonds12

About 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride

2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride (PubChem CID 157442142) has the molecular formula C76H80Cl4N14O19 and a molecular weight of 1635.37 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride
PubChem CID157442142
Molecular FormulaC76H80Cl4N14O19
Molecular Weight1635.37 g/mol
Exact Mass1632.45
IUPAC Name2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride
SMILESCOc1cc(N)c(C(=O)O)cc1OC.COc1cc2nc[nH]c(=O)c2cc1C.COc1cc2nc[nH]c(=O)c2cc1O.COc1cc2nc[nH]c(=O)c2cc1OC.COc1cc2ncnc(Cl)c2cc1C.COc1cc2ncnc(Cl)c2cc1O.COc1cc2ncnc(Cl)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C19H24ClN3O4.C10H9ClN2O.C10H10N2O3.C10H10N2O2.C9H7ClN2O2.C9H8N2O3.C9H11NO4.ClH/c1-19(2,3)27-18(24)23-7-5-12(6-8-23)26-16-9-13-14(10-15(16)25-4)21-11-22-17(13)20;1-6-3-7-8(4-9(6)14-2)12-5-13-10(7)11;1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;1-6-3-7-8(4-9(6)14-2)11-5-12-10(7)13;1-14-8-3-6-5(2-7(8)13)9(10)12-4-11-6;1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6;1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;/h9-12H,5-8H2,1-4H3;3-5H,1-2H3;3-5H,1-2H3,(H,11,12,13);3-5H,1-2H3,(H,11,12,13);2-4,13H,1H3;2-4,12H,1H3,(H,10,11,13);3-4H,10H2,1-2H3,(H,11,12);1H
InChIKeyWQTMZCIWHKQGDY-UHFFFAOYSA-N
XLogP12.89
TPSA440.21 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001635.37
LogP ≤ 512.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride (CID 157442142) is 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride is COc1cc(N)c(C(=O)O)cc1OC.COc1cc2nc[nH]c(=O)c2cc1C.COc1cc2nc[nH]c(=O)c2cc1O.COc1cc2nc[nH]c(=O)c2cc1OC.COc1cc2ncnc(Cl)c2cc1C.COc1cc2ncnc(Cl)c2cc1O.COc1cc2ncnc(Cl)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cl.
What is the InChIKey of 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride?
The InChIKey is WQTMZCIWHKQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4.C10H9ClN2O.C10H10N2O3.C10H10N2O2.C9H7ClN2O2.C9H8N2O3.C9H11NO4.ClH/c1-19(2,3)27-18(24)23-7-5-12(6-8-23)26-16-9-13-14(10-15(16)25-4)21-11-22-17(13)20;1-6-3-7-8(4-9(6)14-2)12-5-13-10(7)11;1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;1-6-3-7-8(4-9(6)14-2)11-5-12-10(7)13;1-14-8-3-6-5(2-7(8)13)9(10)12-4-11-6;1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6;1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;/h9-12H,5-8H2,1-4H3;3-5H,1-2H3;3-5H,1-2H3,(H,11,12,13);3-5H,1-2H3,(H,11,12,13);2-4,13H,1H3;2-4,12H,1H3,(H,10,11,13);3-4H,10H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride?
2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride has a molecular weight of 1635.37 g/mol, XLogP of 12.89, 12 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 157442142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).