8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine

C17H16N6 — CID 59615241

IUPAC8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine
SMILESCc1cc(Nc2ncc3ccc(N)c(C)c3n2)cc2[nH]ncc12
InChIInChI=1S/C17H16N6/c1-9-5-12(6-15-13(9)8-20-23-15)21-17-19-7-11-3-4-14(18)10(2)16(11)22-17/h3-8H,18H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyPEXQEDHNNQTINA-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.45
Rot. Bonds2

About 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine

8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine (PubChem CID 59615241) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine.

Molecular Properties

Compound Name8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine
PubChem CID59615241
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine
SMILESCc1cc(Nc2ncc3ccc(N)c(C)c3n2)cc2[nH]ncc12
InChIInChI=1S/C17H16N6/c1-9-5-12(6-15-13(9)8-20-23-15)21-17-19-7-11-3-4-14(18)10(2)16(11)22-17/h3-8H,18H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyPEXQEDHNNQTINA-UHFFFAOYSA-N
XLogP3.45
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine?
The IUPAC name of 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine (CID 59615241) is 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine.
What is the SMILES notation for 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine?
The canonical SMILES for 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine is Cc1cc(Nc2ncc3ccc(N)c(C)c3n2)cc2[nH]ncc12.
What is the InChIKey of 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine?
The InChIKey is PEXQEDHNNQTINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-9-5-12(6-15-13(9)8-20-23-15)21-17-19-7-11-3-4-14(18)10(2)16(11)22-17/h3-8H,18H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine?
8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-N-(4-methyl-1H-indazol-6-yl)quinazoline-2,7-diamine is sourced from PubChem (CID 59615241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).