6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine

C18H17N5O2 — CID 24949544

IUPAC6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(C)[nH]nc4c3)c2cc1OC
InChIInChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyGZELITDCOZGUPD-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.58
Rot. Bonds4

About 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine

6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine (PubChem CID 24949544) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine
PubChem CID24949544
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(C)[nH]nc4c3)c2cc1OC
InChIInChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyGZELITDCOZGUPD-UHFFFAOYSA-N
XLogP3.58
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine (CID 24949544) is 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc4c(C)[nH]nc4c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine?
The InChIKey is GZELITDCOZGUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine?
6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-methyl-2H-indazol-6-yl)quinazolin-4-amine is sourced from PubChem (CID 24949544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).