6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride

C52H48Br3Cl4N10O2P — CID 158111125

IUPAC6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride
SMILESCN1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1.CN1CCNCC1.Clc1nc(-c2ccccc2)nc2ccc(Br)cc12.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H19BrN4.C14H8BrClN2.C14H9BrN2O.C5H12N2.Cl3OP/c1-23-9-11-24(12-10-23)19-16-13-15(20)7-8-17(16)21-18(22-19)14-5-3-2-4-6-14;15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9;15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9;1-7-4-2-6-3-5-7;1-5(2,3)4/h2-8,13H,9-12H2,1H3;1-8H;1-8H,(H,16,17,18);6H,2-5H2,1H3;
InChIKeyFQLFSKHOQHFGCJ-UHFFFAOYSA-N
MW1257.52 g/mol
LogP14.21
Rot. Bonds4

About 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride

6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride (PubChem CID 158111125) has the molecular formula C52H48Br3Cl4N10O2P and a molecular weight of 1257.52 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride.

Molecular Properties

Compound Name6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride
PubChem CID158111125
Molecular FormulaC52H48Br3Cl4N10O2P
Molecular Weight1257.52 g/mol
Exact Mass1252.00
IUPAC Name6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride
SMILESCN1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1.CN1CCNCC1.Clc1nc(-c2ccccc2)nc2ccc(Br)cc12.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H19BrN4.C14H8BrClN2.C14H9BrN2O.C5H12N2.Cl3OP/c1-23-9-11-24(12-10-23)19-16-13-15(20)7-8-17(16)21-18(22-19)14-5-3-2-4-6-14;15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9;15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9;1-7-4-2-6-3-5-7;1-5(2,3)4/h2-8,13H,9-12H2,1H3;1-8H;1-8H,(H,16,17,18);6H,2-5H2,1H3;
InChIKeyFQLFSKHOQHFGCJ-UHFFFAOYSA-N
XLogP14.21
TPSA136.13 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.52
LogP ≤ 514.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride?
The IUPAC name of 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride (CID 158111125) is 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride.
What is the SMILES notation for 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride?
The canonical SMILES for 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride is CN1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1.CN1CCNCC1.Clc1nc(-c2ccccc2)nc2ccc(Br)cc12.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride?
The InChIKey is FQLFSKHOQHFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4.C14H8BrClN2.C14H9BrN2O.C5H12N2.Cl3OP/c1-23-9-11-24(12-10-23)19-16-13-15(20)7-8-17(16)21-18(22-19)14-5-3-2-4-6-14;15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9;15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9;1-7-4-2-6-3-5-7;1-5(2,3)4/h2-8,13H,9-12H2,1H3;1-8H;1-8H,(H,16,17,18);6H,2-5H2,1H3;.
What are the key properties of 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride?
6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride has a molecular weight of 1257.52 g/mol, XLogP of 14.21, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-phenylquinazoline;6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline;6-bromo-2-phenyl-3H-quinazolin-4-one;1-methylpiperazine;phosphoryl trichloride is sourced from PubChem (CID 158111125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).