1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one

C20H24N6O — CID 59213792

IUPAC1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccc3c(N)ncnc3c2N(C)C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H24N6O/c1-11-16-14(8-20(2,3)9-15(16)27)26(24-11)13-7-6-12-17(18(13)25(4)5)22-10-23-19(12)21/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23)
InChIKeyNHSKKEUQNUOAEB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.93
Rot. Bonds2

About 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one

1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one (PubChem CID 59213792) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one
PubChem CID59213792
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccc3c(N)ncnc3c2N(C)C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H24N6O/c1-11-16-14(8-20(2,3)9-15(16)27)26(24-11)13-7-6-12-17(18(13)25(4)5)22-10-23-19(12)21/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23)
InChIKeyNHSKKEUQNUOAEB-UHFFFAOYSA-N
XLogP2.93
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one (CID 59213792) is 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one is Cc1nn(-c2ccc3c(N)ncnc3c2N(C)C)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The InChIKey is NHSKKEUQNUOAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-11-16-14(8-20(2,3)9-15(16)27)26(24-11)13-7-6-12-17(18(13)25(4)5)22-10-23-19(12)21/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-8-(dimethylamino)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 59213792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).