2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole

C23H21FN6O2 — CID 142172422

IUPAC2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole
SMILESCOc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC.c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H15FN4O2.C7H6N2/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-9(17)4-6-10;1-2-4-7-6(3-1)5-8-9-7/h3-8H,1-2H3,(H3,18,19,20,21);1-5H,(H,8,9)
InChIKeyQWAIIUYCCIJLNV-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.67
Rot. Bonds4

About 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole

2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole (PubChem CID 142172422) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole
PubChem CID142172422
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole
SMILESCOc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC.c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H15FN4O2.C7H6N2/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-9(17)4-6-10;1-2-4-7-6(3-1)5-8-9-7/h3-8H,1-2H3,(H3,18,19,20,21);1-5H,(H,8,9)
InChIKeyQWAIIUYCCIJLNV-UHFFFAOYSA-N
XLogP4.67
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole?
The IUPAC name of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole (CID 142172422) is 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole?
The canonical SMILES for 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole is COc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC.c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole?
The InChIKey is QWAIIUYCCIJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2.C7H6N2/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-9(17)4-6-10;1-2-4-7-6(3-1)5-8-9-7/h3-8H,1-2H3,(H3,18,19,20,21);1-5H,(H,8,9).
What are the key properties of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole?
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole has a molecular weight of 432.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole is sourced from PubChem (CID 142172422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).