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

C19H20N4O — CID 59213787

IUPAC1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H20N4O/c1-11-9-23(15-7-19(2,3)8-16(24)17(11)15)12-4-5-13-14(6-12)21-10-22-18(13)20/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22)
InChIKeyGCDCTISRNJFNAZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.47
Rot. Bonds1

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

1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 59213787) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID59213787
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H20N4O/c1-11-9-23(15-7-19(2,3)8-16(24)17(11)15)12-4-5-13-14(6-12)21-10-22-18(13)20/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22)
InChIKeyGCDCTISRNJFNAZ-UHFFFAOYSA-N
XLogP3.47
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 59213787) is 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cn(-c2ccc3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is GCDCTISRNJFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-11-9-23(15-7-19(2,3)8-16(24)17(11)15)12-4-5-13-14(6-12)21-10-22-18(13)20/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 320.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 59213787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).