2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride

C85H88Cl4N15O8P — CID 159459934

IUPAC2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride
SMILESC.C.CN(C)c1ccc(-c2nc(C(=O)O)c3ccccc3n2)cc1.CN(C)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1.CN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.CN(C)c1ccc(C=O)cc1.COC(=O)c1nc(-c2ccc(N(C)C)cc2)nc2ccccc12.NC(=O)c1ccccc1N.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H17N3O2.C17H15N3O2.C16H14ClN3.C16H15N3O.C9H11NO.C7H8N2O.2CH4.Cl3OP/c1-21(2)13-10-8-12(9-11-13)17-19-15-7-5-4-6-14(15)16(20-17)18(22)23-3;1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(19-16)17(21)22;1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(17)19-16;1-19(2)12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(20)18-15;1-10(2)9-5-3-8(7-11)4-6-9;8-6-4-2-1-3-5(6)7(9)10;;;1-5(2,3)4/h4-11H,1-3H3;3-10H,1-2H3,(H,21,22);3-10H,1-2H3;3-10H,1-2H3,(H,17,18,20);3-7H,1-2H3;1-4H,8H2,(H2,9,10);2*1H4;
InChIKeyLULQLKUIQOJRSP-UHFFFAOYSA-N
MW1620.52 g/mol
LogP18.90
Rot. Bonds13

About 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride

2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride (PubChem CID 159459934) has the molecular formula C85H88Cl4N15O8P and a molecular weight of 1620.52 g/mol. Its IUPAC name is 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride.

Molecular Properties

Compound Name2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride
PubChem CID159459934
Molecular FormulaC85H88Cl4N15O8P
Molecular Weight1620.52 g/mol
Exact Mass1617.54
IUPAC Name2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride
SMILESC.C.CN(C)c1ccc(-c2nc(C(=O)O)c3ccccc3n2)cc1.CN(C)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1.CN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.CN(C)c1ccc(C=O)cc1.COC(=O)c1nc(-c2ccc(N(C)C)cc2)nc2ccccc12.NC(=O)c1ccccc1N.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H17N3O2.C17H15N3O2.C16H14ClN3.C16H15N3O.C9H11NO.C7H8N2O.2CH4.Cl3OP/c1-21(2)13-10-8-12(9-11-13)17-19-15-7-5-4-6-14(15)16(20-17)18(22)23-3;1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(19-16)17(21)22;1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(17)19-16;1-19(2)12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(20)18-15;1-10(2)9-5-3-8(7-11)4-6-9;8-6-4-2-1-3-5(6)7(9)10;;;1-5(2,3)4/h4-11H,1-3H3;3-10H,1-2H3,(H,21,22);3-10H,1-2H3;3-10H,1-2H3,(H,17,18,20);3-7H,1-2H3;1-4H,8H2,(H2,9,10);2*1H4;
InChIKeyLULQLKUIQOJRSP-UHFFFAOYSA-N
XLogP18.90
TPSA306.14 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.52
LogP ≤ 518.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride?
The IUPAC name of 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride (CID 159459934) is 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride.
What is the SMILES notation for 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride?
The canonical SMILES for 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride is C.C.CN(C)c1ccc(-c2nc(C(=O)O)c3ccccc3n2)cc1.CN(C)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1.CN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.CN(C)c1ccc(C=O)cc1.COC(=O)c1nc(-c2ccc(N(C)C)cc2)nc2ccccc12.NC(=O)c1ccccc1N.O=P(Cl)(Cl)Cl.
What is the InChIKey of 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride?
The InChIKey is LULQLKUIQOJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2.C17H15N3O2.C16H14ClN3.C16H15N3O.C9H11NO.C7H8N2O.2CH4.Cl3OP/c1-21(2)13-10-8-12(9-11-13)17-19-15-7-5-4-6-14(15)16(20-17)18(22)23-3;1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(19-16)17(21)22;1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(17)19-16;1-19(2)12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(20)18-15;1-10(2)9-5-3-8(7-11)4-6-9;8-6-4-2-1-3-5(6)7(9)10;;;1-5(2,3)4/h4-11H,1-3H3;3-10H,1-2H3,(H,21,22);3-10H,1-2H3;3-10H,1-2H3,(H,17,18,20);3-7H,1-2H3;1-4H,8H2,(H2,9,10);2*1H4;.
What are the key properties of 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride?
2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride has a molecular weight of 1620.52 g/mol, XLogP of 18.90, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline;4-(dimethylamino)benzaldehyde;2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylic acid;2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one;methane;methyl 2-[4-(dimethylamino)phenyl]quinazoline-4-carboxylate;phosphoryl trichloride is sourced from PubChem (CID 159459934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).