2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C20H17FN4O2 — CID 69451803

IUPAC2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1c(O)cccc1-c1cccnc1F)C2
InChIInChI=1S/C20H17FN4O2/c1-10-17-14(25-20(22)24-10)8-11(9-16(17)27)18-12(4-2-6-15(18)26)13-5-3-7-23-19(13)21/h2-7,11,26H,8-9H2,1H3,(H2,22,24,25)
InChIKeyQXJZXCIDEHAFLP-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.19
Rot. Bonds2

About 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69451803) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69451803
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1c(O)cccc1-c1cccnc1F)C2
InChIInChI=1S/C20H17FN4O2/c1-10-17-14(25-20(22)24-10)8-11(9-16(17)27)18-12(4-2-6-15(18)26)13-5-3-7-23-19(13)21/h2-7,11,26H,8-9H2,1H3,(H2,22,24,25)
InChIKeyQXJZXCIDEHAFLP-UHFFFAOYSA-N
XLogP3.19
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69451803) is 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1c(O)cccc1-c1cccnc1F)C2.
What is the InChIKey of 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QXJZXCIDEHAFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-10-17-14(25-20(22)24-10)8-11(9-16(17)27)18-12(4-2-6-15(18)26)13-5-3-7-23-19(13)21/h2-7,11,26H,8-9H2,1H3,(H2,22,24,25).
What are the key properties of 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 364.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(2-fluoro-3-pyridinyl)-6-hydroxyphenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69451803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).