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

C24H22N8O2 — CID 147397989

IUPAC6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one
SMILESCC(C)n1cnnc1-c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C24H22N8O2/c1-14(2)31-13-27-29-23(31)17-4-3-5-22(28-17)32-12-26-18-9-21(33)20(8-16(18)24(32)34)30-10-19(25-11-30)15-6-7-15/h3-5,8-15,33H,6-7H2,1-2H3
InChIKeyDOECEJURFUDVIN-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.39
Rot. Bonds5

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

6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one (PubChem CID 147397989) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-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-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one
PubChem CID147397989
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one
SMILESCC(C)n1cnnc1-c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C24H22N8O2/c1-14(2)31-13-27-29-23(31)17-4-3-5-22(28-17)32-12-26-18-9-21(33)20(8-16(18)24(32)34)30-10-19(25-11-30)15-6-7-15/h3-5,8-15,33H,6-7H2,1-2H3
InChIKeyDOECEJURFUDVIN-UHFFFAOYSA-N
XLogP3.39
TPSA116.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-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-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one (CID 147397989) is 6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-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-hydroxy-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-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one is CC(C)n1cnnc1-c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one?
The InChIKey is DOECEJURFUDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-14(2)31-13-27-29-23(31)17-4-3-5-22(28-17)32-12-26-18-9-21(33)20(8-16(18)24(32)34)30-10-19(25-11-30)15-6-7-15/h3-5,8-15,33H,6-7H2,1-2H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one?
6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one has a molecular weight of 454.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 147397989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).