1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

C19H19FN4O — CID 25060729

IUPAC1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H19FN4O/c1-10-8-24(13-6-19(2,3)7-14(25)15(10)13)12-5-4-11-17(16(12)20)22-9-23-18(11)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23)
InChIKeyUZANTPGYBJWKPB-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.61
Rot. Bonds1

About 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 25060729) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID25060729
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H19FN4O/c1-10-8-24(13-6-19(2,3)7-14(25)15(10)13)12-5-4-11-17(16(12)20)22-9-23-18(11)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23)
InChIKeyUZANTPGYBJWKPB-UHFFFAOYSA-N
XLogP3.61
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 25060729) is 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is UZANTPGYBJWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-10-8-24(13-6-19(2,3)7-14(25)15(10)13)12-5-4-11-17(16(12)20)22-9-23-18(11)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 338.39 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 25060729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).