N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine

C86H101Cl4F4N12O15P5 — CID 162133992

IUPACN-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine
SMILESCCOP(=O)(CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)OCC.CCP(=O)(CC)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCP(C)(=O)CP(C)(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCP(C)(C)=O
InChIInChI=1S/C22H26ClFN3O5P.C22H27ClFN3O4P2.C22H26ClFN3O3P.C20H22ClFN3O3P/c1-4-31-33(28,32-5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15;1-30-20-12-19-16(11-21(20)31-8-5-9-33(4,29)14-32(2,3)28)22(26-13-25-19)27-15-6-7-18(24)17(23)10-15;1-4-31(28,5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15;1-27-18-11-17-14(10-19(18)28-7-4-8-29(2,3)26)20(24-12-23-17)25-13-5-6-16(22)15(21)9-13/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27);6-7,10-13H,5,8-9,14H2,1-4H3,(H,25,26,27);7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27);5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25)
InChIKeyZJAIYMSUIZGBOW-UHFFFAOYSA-N
MW1915.50 g/mol
LogP24.64
Rot. Bonds40

About N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine (PubChem CID 162133992) has the molecular formula C86H101Cl4F4N12O15P5 and a molecular weight of 1915.50 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine
PubChem CID162133992
Molecular FormulaC86H101Cl4F4N12O15P5
Molecular Weight1915.50 g/mol
Exact Mass1912.49
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine
SMILESCCOP(=O)(CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)OCC.CCP(=O)(CC)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCP(C)(=O)CP(C)(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCP(C)(C)=O
InChIInChI=1S/C22H26ClFN3O5P.C22H27ClFN3O4P2.C22H26ClFN3O3P.C20H22ClFN3O3P/c1-4-31-33(28,32-5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15;1-30-20-12-19-16(11-21(20)31-8-5-9-33(4,29)14-32(2,3)28)22(26-13-25-19)27-15-6-7-18(24)17(23)10-15;1-4-31(28,5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15;1-27-18-11-17-14(10-19(18)28-7-4-8-29(2,3)26)20(24-12-23-17)25-13-5-6-16(22)15(21)9-13/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27);6-7,10-13H,5,8-9,14H2,1-4H3,(H,25,26,27);7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27);5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25)
InChIKeyZJAIYMSUIZGBOW-UHFFFAOYSA-N
XLogP24.64
TPSA328.89 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.50
LogP ≤ 524.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
1-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]-3-diethoxyphosphorylpropan-2-one
CID 159161370
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine
CID 129239945
[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] trifluoromethanesulfonate;N-(3-chloro-4-fluorophenyl)-6-diethoxyphosphoryl-7-methoxyquinazolin-4-amine
CID 158048230
ethyl 7-[4-(3-chloro-4-fluoroanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyheptanoate
CID 69009484
7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(oxiran-2-yl)heptan-1-one
CID 42597705

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine (CID 162133992) is N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine is CCOP(=O)(CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)OCC.CCP(=O)(CC)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCP(C)(=O)CP(C)(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCP(C)(C)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine?
The InChIKey is ZJAIYMSUIZGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN3O5P.C22H27ClFN3O4P2.C22H26ClFN3O3P.C20H22ClFN3O3P/c1-4-31-33(28,32-5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15;1-30-20-12-19-16(11-21(20)31-8-5-9-33(4,29)14-32(2,3)28)22(26-13-25-19)27-15-6-7-18(24)17(23)10-15;1-4-31(28,5-2)10-6-9-30-21-12-16-19(13-20(21)29-3)25-14-26-22(16)27-15-7-8-18(24)17(23)11-15;1-27-18-11-17-14(10-19(18)28-7-4-8-29(2,3)26)20(24-12-23-17)25-13-5-6-16(22)15(21)9-13/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27);6-7,10-13H,5,8-9,14H2,1-4H3,(H,25,26,27);7-8,11-14H,4-6,9-10H2,1-3H3,(H,25,26,27);5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine has a molecular weight of 1915.50 g/mol, XLogP of 24.64, 40 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(3-diethoxyphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-diethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[3-[dimethylphosphorylmethyl(methyl)phosphoryl]propoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-(3-dimethylphosphorylpropoxy)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 162133992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).