4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine

C22H18N6 — CID 58329352

IUPAC4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine
SMILESCc1nc(Nc2cccnc2)nc2ccc(-n3nc(C)c4ccccc43)cc12
InChIInChI=1S/C22H18N6/c1-14-19-12-17(28-21-8-4-3-7-18(21)15(2)27-28)9-10-20(19)26-22(24-14)25-16-6-5-11-23-13-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyOTWHXUQDQNJKAE-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.72
Rot. Bonds3

About 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine

4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine (PubChem CID 58329352) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine
PubChem CID58329352
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine
SMILESCc1nc(Nc2cccnc2)nc2ccc(-n3nc(C)c4ccccc43)cc12
InChIInChI=1S/C22H18N6/c1-14-19-12-17(28-21-8-4-3-7-18(21)15(2)27-28)9-10-20(19)26-22(24-14)25-16-6-5-11-23-13-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyOTWHXUQDQNJKAE-UHFFFAOYSA-N
XLogP4.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine (CID 58329352) is 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine is Cc1nc(Nc2cccnc2)nc2ccc(-n3nc(C)c4ccccc43)cc12.
What is the InChIKey of 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine?
The InChIKey is OTWHXUQDQNJKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-14-19-12-17(28-21-8-4-3-7-18(21)15(2)27-28)9-10-20(19)26-22(24-14)25-16-6-5-11-23-13-16/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine?
4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine is sourced from PubChem (CID 58329352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).