4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol

C51H44Cl4FN10O6P — CID 158613829

IUPAC4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol
SMILESCC(C)O.COc1ccc2nc(-c3cccnc3)[nH]c(=O)c2c1.COc1ccc2nc(-c3cccnc3)nc(Cl)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3F)c2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C20H15FN4O.C14H10ClN3O.C14H11N3O2.C3H8O.Cl3OP/c1-26-14-8-9-17-15(11-14)20(24-18-7-3-2-6-16(18)21)25-19(23-17)13-5-4-10-22-12-13;1-19-10-4-5-12-11(7-10)13(15)18-14(17-12)9-3-2-6-16-8-9;1-19-10-4-5-12-11(7-10)14(18)17-13(16-12)9-3-2-6-15-8-9;1-3(2)4;1-5(2,3)4/h2-12H,1H3,(H,23,24,25);2-8H,1H3;2-8H,1H3,(H,16,17,18);3-4H,1-2H3;
InChIKeyHXDRGHKOOZXBJN-UHFFFAOYSA-N
MW1084.76 g/mol
LogP13.13
Rot. Bonds8

About 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol

4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol (PubChem CID 158613829) has the molecular formula C51H44Cl4FN10O6P and a molecular weight of 1084.76 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol
PubChem CID158613829
Molecular FormulaC51H44Cl4FN10O6P
Molecular Weight1084.76 g/mol
Exact Mass1082.19
IUPAC Name4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol
SMILESCC(C)O.COc1ccc2nc(-c3cccnc3)[nH]c(=O)c2c1.COc1ccc2nc(-c3cccnc3)nc(Cl)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3F)c2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C20H15FN4O.C14H10ClN3O.C14H11N3O2.C3H8O.Cl3OP/c1-26-14-8-9-17-15(11-14)20(24-18-7-3-2-6-16(18)21)25-19(23-17)13-5-4-10-22-12-13;1-19-10-4-5-12-11(7-10)13(15)18-14(17-12)9-3-2-6-16-8-9;1-19-10-4-5-12-11(7-10)14(18)17-13(16-12)9-3-2-6-15-8-9;1-3(2)4;1-5(2,3)4/h2-12H,1H3,(H,23,24,25);2-8H,1H3;2-8H,1H3,(H,16,17,18);3-4H,1-2H3;
InChIKeyHXDRGHKOOZXBJN-UHFFFAOYSA-N
XLogP13.13
TPSA213.00 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.76
LogP ≤ 513.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol with MolForge

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Related Compounds

6-chloro-N-[4-({[6-methoxy-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25024934
2-[[2-(5-Fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide
CID 71179813
2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide
CID 71179826
2-Fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71180040
4-Fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71180076
5-Fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71180366
N-[(4-fluorophenyl)methyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71180489
2-[(6-Ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide
CID 71180919
2-[[6-Ethoxy-2-(2-fluoro-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 71180991
2-[(6-Ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-fluorobenzamide
CID 71273559
N-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71274355
N-[2-(3-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71274362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol?
The IUPAC name of 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol (CID 158613829) is 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol.
What is the SMILES notation for 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol?
The canonical SMILES for 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol is CC(C)O.COc1ccc2nc(-c3cccnc3)[nH]c(=O)c2c1.COc1ccc2nc(-c3cccnc3)nc(Cl)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3F)c2c1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol?
The InChIKey is HXDRGHKOOZXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O.C14H10ClN3O.C14H11N3O2.C3H8O.Cl3OP/c1-26-14-8-9-17-15(11-14)20(24-18-7-3-2-6-16(18)21)25-19(23-17)13-5-4-10-22-12-13;1-19-10-4-5-12-11(7-10)13(15)18-14(17-12)9-3-2-6-16-8-9;1-19-10-4-5-12-11(7-10)14(18)17-13(16-12)9-3-2-6-15-8-9;1-3(2)4;1-5(2,3)4/h2-12H,1H3,(H,23,24,25);2-8H,1H3;2-8H,1H3,(H,16,17,18);3-4H,1-2H3;.
What are the key properties of 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol?
4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol has a molecular weight of 1084.76 g/mol, XLogP of 13.13, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-pyridin-3-ylquinazoline;N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;6-methoxy-2-pyridin-3-yl-3H-quinazolin-4-one;phosphoryl trichloride;propan-2-ol is sourced from PubChem (CID 158613829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).