[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

C17H17BrClN5O2 — CID 3066781

IUPAC[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCl.Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN5O2.ClH/c18-11-3-4-13-12(10-11)15(19)21-17(20-13)23-7-5-22(6-8-23)16(24)14-2-1-9-25-14;/h1-4,9-10H,5-8H2,(H2,19,20,21);1H
InChIKeyVSQLJZNBSAFAIY-UHFFFAOYSA-N
MW438.71 g/mol
LogP2.95
Rot. Bonds2

About [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (PubChem CID 3066781) has the molecular formula C17H17BrClN5O2 and a molecular weight of 438.71 g/mol. Its IUPAC name is [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
PubChem CID3066781
Molecular FormulaC17H17BrClN5O2
Molecular Weight438.71 g/mol
Exact Mass437.03
IUPAC Name[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCl.Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN5O2.ClH/c18-11-3-4-13-12(10-11)15(19)21-17(20-13)23-7-5-22(6-8-23)16(24)14-2-1-9-25-14;/h1-4,9-10H,5-8H2,(H2,19,20,21);1H
InChIKeyVSQLJZNBSAFAIY-UHFFFAOYSA-N
XLogP2.95
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (CID 3066781) is [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is Cl.Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc12.
What is the InChIKey of [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The InChIKey is VSQLJZNBSAFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2.ClH/c18-11-3-4-13-12(10-11)15(19)21-17(20-13)23-7-5-22(6-8-23)16(24)14-2-1-9-25-14;/h1-4,9-10H,5-8H2,(H2,19,20,21);1H.
What are the key properties of [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride has a molecular weight of 438.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 3066781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).