(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol

C18H13FIN5O — CID 46892626

IUPAC(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccc(I)cc2n1
InChIInChI=1S/C18H13FIN5O/c19-11-3-1-10(2-4-11)16(26)18-22-14-9-12(20)5-6-13(14)17(24-18)23-15-7-8-21-25-15/h1-9,16,26H,(H2,21,22,23,24,25)
InChIKeySQVBXMYNFQUJRH-UHFFFAOYSA-N
MW461.24 g/mol
LogP3.92
Rot. Bonds4

About (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol

(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol (PubChem CID 46892626) has the molecular formula C18H13FIN5O and a molecular weight of 461.24 g/mol. Its IUPAC name is (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
PubChem CID46892626
Molecular FormulaC18H13FIN5O
Molecular Weight461.24 g/mol
Exact Mass461.01
IUPAC Name(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccc(I)cc2n1
InChIInChI=1S/C18H13FIN5O/c19-11-3-1-10(2-4-11)16(26)18-22-14-9-12(20)5-6-13(14)17(24-18)23-15-7-8-21-25-15/h1-9,16,26H,(H2,21,22,23,24,25)
InChIKeySQVBXMYNFQUJRH-UHFFFAOYSA-N
XLogP3.92
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.24
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol (CID 46892626) is (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol is OC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccc(I)cc2n1.
What is the InChIKey of (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
The InChIKey is SQVBXMYNFQUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FIN5O/c19-11-3-1-10(2-4-11)16(26)18-22-14-9-12(20)5-6-13(14)17(24-18)23-15-7-8-21-25-15/h1-9,16,26H,(H2,21,22,23,24,25).
What are the key properties of (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
(4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol has a molecular weight of 461.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[7-iodo-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol is sourced from PubChem (CID 46892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).