4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline

C19H19IN4 — CID 1191450

IUPAC4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
SMILESIc1ccc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C19H19IN4/c20-16-6-7-18-17(12-16)19(22-14-21-18)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2
InChIKeyXHWNDWPVUFCWFU-UHFFFAOYSA-N
MW430.29 g/mol
LogP3.56
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline

4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline (PubChem CID 1191450) has the molecular formula C19H19IN4 and a molecular weight of 430.29 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
PubChem CID1191450
Molecular FormulaC19H19IN4
Molecular Weight430.29 g/mol
Exact Mass430.07
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
SMILESIc1ccc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C19H19IN4/c20-16-6-7-18-17(12-16)19(22-14-21-18)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2
InChIKeyXHWNDWPVUFCWFU-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline (CID 1191450) is 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline is Ic1ccc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline?
The InChIKey is XHWNDWPVUFCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN4/c20-16-6-7-18-17(12-16)19(22-14-21-18)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline?
4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline has a molecular weight of 430.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline is sourced from PubChem (CID 1191450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).