(4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C19H17ClN4O — CID 46912153

IUPAC(4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H17ClN4O/c20-15-7-5-14(6-8-15)19(25)24-11-9-23(10-12-24)18-16-3-1-2-4-17(16)21-13-22-18/h1-8,13H,9-12H2
InChIKeyXGRDZEPAEAOBOG-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.25
Rot. Bonds2

About (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

(4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 46912153) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID46912153
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name(4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H17ClN4O/c20-15-7-5-14(6-8-15)19(25)24-11-9-23(10-12-24)18-16-3-1-2-4-17(16)21-13-22-18/h1-8,13H,9-12H2
InChIKeyXGRDZEPAEAOBOG-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 46912153) is (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is XGRDZEPAEAOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-15-7-5-14(6-8-15)19(25)24-11-9-23(10-12-24)18-16-3-1-2-4-17(16)21-13-22-18/h1-8,13H,9-12H2.
What are the key properties of (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
(4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 352.83 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 46912153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).