N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride

C120H105ClN22O11 — CID 159103319

IUPACN-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride
SMILESCN(C)CC(=O)O.Cc1ccc(N)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.Cc1ccc([N+](=O)[O-])cc1N.Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.O=C(Cl)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C32H30N6O2.C28H21N5O3.C28H23N5O.C21H14ClN3O.C7H8N2O2.C4H9NO2/c1-21-13-16-25(33-29(39)20-38(2)3)19-28(21)35-31(40)23-14-17-24(18-15-23)34-32-36-27-12-8-7-11-26(27)30(37-32)22-9-5-4-6-10-22;1-18-11-16-22(33(35)36)17-25(18)30-27(34)20-12-14-21(15-13-20)29-28-31-24-10-6-5-9-23(24)26(32-28)19-7-3-2-4-8-19;1-18-11-14-21(29)17-25(18)31-27(34)20-12-15-22(16-13-20)30-28-32-24-10-6-5-9-23(24)26(33-28)19-7-3-2-4-8-19;22-20(26)15-10-12-16(13-11-15)23-21-24-18-9-5-4-8-17(18)19(25-21)14-6-2-1-3-7-14;1-5-2-3-6(9(10)11)4-7(5)8;1-5(2)3-4(6)7/h4-19H,20H2,1-3H3,(H,33,39)(H,35,40)(H,34,36,37);2-17H,1H3,(H,30,34)(H,29,31,32);2-17H,29H2,1H3,(H,31,34)(H,30,32,33);1-13H,(H,23,24,25);2-4H,8H2,1H3;3H2,1-2H3,(H,6,7)
InChIKeyKDOFODWUKKSDMQ-UHFFFAOYSA-N
MW2066.76 g/mol
LogP25.33
Rot. Bonds26

About N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride

N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride (PubChem CID 159103319) has the molecular formula C120H105ClN22O11 and a molecular weight of 2066.76 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride
PubChem CID159103319
Molecular FormulaC120H105ClN22O11
Molecular Weight2066.76 g/mol
Exact Mass2064.80
IUPAC NameN-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride
SMILESCN(C)CC(=O)O.Cc1ccc(N)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.Cc1ccc([N+](=O)[O-])cc1N.Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.O=C(Cl)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C32H30N6O2.C28H21N5O3.C28H23N5O.C21H14ClN3O.C7H8N2O2.C4H9NO2/c1-21-13-16-25(33-29(39)20-38(2)3)19-28(21)35-31(40)23-14-17-24(18-15-23)34-32-36-27-12-8-7-11-26(27)30(37-32)22-9-5-4-6-10-22;1-18-11-16-22(33(35)36)17-25(18)30-27(34)20-12-14-21(15-13-20)29-28-31-24-10-6-5-9-23(24)26(32-28)19-7-3-2-4-8-19;1-18-11-14-21(29)17-25(18)31-27(34)20-12-15-22(16-13-20)30-28-32-24-10-6-5-9-23(24)26(33-28)19-7-3-2-4-8-19;22-20(26)15-10-12-16(13-11-15)23-21-24-18-9-5-4-8-17(18)19(25-21)14-6-2-1-3-7-14;1-5-2-3-6(9(10)11)4-7(5)8;1-5(2)3-4(6)7/h4-19H,20H2,1-3H3,(H,33,39)(H,35,40)(H,34,36,37);2-17H,1H3,(H,30,34)(H,29,31,32);2-17H,29H2,1H3,(H,31,34)(H,30,32,33);1-13H,(H,23,24,25);2-4H,8H2,1H3;3H2,1-2H3,(H,6,7)
InChIKeyKDOFODWUKKSDMQ-UHFFFAOYSA-N
XLogP25.33
TPSA466.81 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002066.76
LogP ≤ 525.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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 N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride with MolForge

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Related Compounds

acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide
CID 157155530
4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine
CID 157725005
4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride
CID 158678069
cyanamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;N-(2-ethyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine;methane;2-methyl-5-nitroaniline;2-(2-methyl-5-nitrophenyl)guanidine;4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 158813824
N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine;4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 159971263
N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride
CID 160379480

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride (CID 159103319) is N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride is CN(C)CC(=O)O.Cc1ccc(N)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.Cc1ccc([N+](=O)[O-])cc1N.Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.O=C(Cl)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride?
The InChIKey is KDOFODWUKKSDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O2.C28H21N5O3.C28H23N5O.C21H14ClN3O.C7H8N2O2.C4H9NO2/c1-21-13-16-25(33-29(39)20-38(2)3)19-28(21)35-31(40)23-14-17-24(18-15-23)34-32-36-27-12-8-7-11-26(27)30(37-32)22-9-5-4-6-10-22;1-18-11-16-22(33(35)36)17-25(18)30-27(34)20-12-14-21(15-13-20)29-28-31-24-10-6-5-9-23(24)26(32-28)19-7-3-2-4-8-19;1-18-11-14-21(29)17-25(18)31-27(34)20-12-15-22(16-13-20)30-28-32-24-10-6-5-9-23(24)26(33-28)19-7-3-2-4-8-19;22-20(26)15-10-12-16(13-11-15)23-21-24-18-9-5-4-8-17(18)19(25-21)14-6-2-1-3-7-14;1-5-2-3-6(9(10)11)4-7(5)8;1-5(2)3-4(6)7/h4-19H,20H2,1-3H3,(H,33,39)(H,35,40)(H,34,36,37);2-17H,1H3,(H,30,34)(H,29,31,32);2-17H,29H2,1H3,(H,31,34)(H,30,32,33);1-13H,(H,23,24,25);2-4H,8H2,1H3;3H2,1-2H3,(H,6,7).
What are the key properties of N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride?
N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride has a molecular weight of 2066.76 g/mol, XLogP of 25.33, 26 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-(dimethylamino)acetic acid;N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide;4-[(4-phenylquinazolin-2-yl)amino]benzoyl chloride is sourced from PubChem (CID 159103319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).