1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

C19H21N5O — CID 25060728

IUPAC1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(N)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H21N5O/c1-10-9-24(14-7-19(2,3)8-15(25)16(10)14)11-4-5-12-13(6-11)22-18(21)23-17(12)20/h4-6,9H,7-8H2,1-3H3,(H4,20,21,22,23)
InChIKeyFVMXVFZACNXLHD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.05
Rot. Bonds1

About 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 25060728) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID25060728
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(N)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H21N5O/c1-10-9-24(14-7-19(2,3)8-15(25)16(10)14)11-4-5-12-13(6-11)22-18(21)23-17(12)20/h4-6,9H,7-8H2,1-3H3,(H4,20,21,22,23)
InChIKeyFVMXVFZACNXLHD-UHFFFAOYSA-N
XLogP3.05
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 25060728) is 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cn(-c2ccc3c(N)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is FVMXVFZACNXLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-10-9-24(14-7-19(2,3)8-15(25)16(10)14)11-4-5-12-13(6-11)22-18(21)23-17(12)20/h4-6,9H,7-8H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 335.41 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diaminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 25060728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).