6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one

C25H24N8O2 — CID 146856872

IUPAC6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one
SMILESCOc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C25H24N8O2/c1-15(2)32-14-28-30-24(32)18-5-4-6-23(29-18)33-13-27-19-10-22(35-3)21(9-17(19)25(33)34)31-11-20(26-12-31)16-7-8-16/h4-6,9-16H,7-8H2,1-3H3
InChIKeySJTUILUZVJKLKS-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.69
Rot. Bonds6

About 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one

6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one (PubChem CID 146856872) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one
PubChem CID146856872
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one
SMILESCOc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C25H24N8O2/c1-15(2)32-14-28-30-24(32)18-5-4-6-23(29-18)33-13-27-19-10-22(35-3)21(9-17(19)25(33)34)31-11-20(26-12-31)16-7-8-16/h4-6,9-16H,7-8H2,1-3H3
InChIKeySJTUILUZVJKLKS-UHFFFAOYSA-N
XLogP3.69
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one (CID 146856872) is 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one is COc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one?
The InChIKey is SJTUILUZVJKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-15(2)32-14-28-30-24(32)18-5-4-6-23(29-18)33-13-27-19-10-22(35-3)21(9-17(19)25(33)34)31-11-20(26-12-31)16-7-8-16/h4-6,9-16H,7-8H2,1-3H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one?
6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one has a molecular weight of 468.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-7-methoxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 146856872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).