5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

C46H35Cl2F6N5O7 — CID 161355693

IUPAC5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1.COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1.COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C23H17F3N4O2.C15H11ClF3NO2.C8H7ClO3/c1-32-20-8-6-14(13-5-7-19-15(9-13)12-28-22(27)30-19)10-18(20)21(31)29-17-4-2-3-16(11-17)23(24,25)26;1-22-13-6-5-10(16)8-12(13)14(21)20-11-4-2-3-9(7-11)15(17,18)19;1-12-7-3-2-5(9)4-6(7)8(10)11/h2-12H,1H3,(H,29,31)(H2,27,28,30);2-8H,1H3,(H,20,21);2-4H,1H3,(H,10,11)
InChIKeyVOMYWQBNFGJDFO-UHFFFAOYSA-N
MW954.71 g/mol
LogP11.83
Rot. Bonds9

About 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 161355693) has the molecular formula C46H35Cl2F6N5O7 and a molecular weight of 954.71 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID161355693
Molecular FormulaC46H35Cl2F6N5O7
Molecular Weight954.71 g/mol
Exact Mass953.18
IUPAC Name5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1.COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1.COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C23H17F3N4O2.C15H11ClF3NO2.C8H7ClO3/c1-32-20-8-6-14(13-5-7-19-15(9-13)12-28-22(27)30-19)10-18(20)21(31)29-17-4-2-3-16(11-17)23(24,25)26;1-22-13-6-5-10(16)8-12(13)14(21)20-11-4-2-3-9(7-11)15(17,18)19;1-12-7-3-2-5(9)4-6(7)8(10)11/h2-12H,1H3,(H,29,31)(H2,27,28,30);2-8H,1H3,(H,20,21);2-4H,1H3,(H,10,11)
InChIKeyVOMYWQBNFGJDFO-UHFFFAOYSA-N
XLogP11.83
TPSA174.99 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.71
LogP ≤ 511.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58829955
5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58830114
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 71273086
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622236
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
CID 11546872
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 58829569
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 161355693) is 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1.COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1.COc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VOMYWQBNFGJDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2.C15H11ClF3NO2.C8H7ClO3/c1-32-20-8-6-14(13-5-7-19-15(9-13)12-28-22(27)30-19)10-18(20)21(31)29-17-4-2-3-16(11-17)23(24,25)26;1-22-13-6-5-10(16)8-12(13)14(21)20-11-4-2-3-9(7-11)15(17,18)19;1-12-7-3-2-5(9)4-6(7)8(10)11/h2-12H,1H3,(H,29,31)(H2,27,28,30);2-8H,1H3,(H,20,21);2-4H,1H3,(H,10,11).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 954.71 g/mol, XLogP of 11.83, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 161355693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).