2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide

C22H25N7O4S — CID 175495711

IUPAC2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide
SMILESCOC(CS(N)(=O)=O)c1cc2c(=O)n(-c3cccc(-c4nncn4C(C)C)n3)cnc2cc1C
InChIInChI=1S/C22H25N7O4S/c1-13(2)28-12-25-27-21(28)17-6-5-7-20(26-17)29-11-24-18-8-14(3)15(9-16(18)22(29)30)19(33-4)10-34(23,31)32/h5-9,11-13,19H,10H2,1-4H3,(H2,23,31,32)
InChIKeySPARRGPQAUCHQC-UHFFFAOYSA-N
MW483.55 g/mol
LogP1.90
Rot. Bonds7

About 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide

2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide (PubChem CID 175495711) has the molecular formula C22H25N7O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide
PubChem CID175495711
Molecular FormulaC22H25N7O4S
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC Name2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide
SMILESCOC(CS(N)(=O)=O)c1cc2c(=O)n(-c3cccc(-c4nncn4C(C)C)n3)cnc2cc1C
InChIInChI=1S/C22H25N7O4S/c1-13(2)28-12-25-27-21(28)17-6-5-7-20(26-17)29-11-24-18-8-14(3)15(9-16(18)22(29)30)19(33-4)10-34(23,31)32/h5-9,11-13,19H,10H2,1-4H3,(H2,23,31,32)
InChIKeySPARRGPQAUCHQC-UHFFFAOYSA-N
XLogP1.90
TPSA147.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide?
The IUPAC name of 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide (CID 175495711) is 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide is COC(CS(N)(=O)=O)c1cc2c(=O)n(-c3cccc(-c4nncn4C(C)C)n3)cnc2cc1C.
What is the InChIKey of 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide?
The InChIKey is SPARRGPQAUCHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4S/c1-13(2)28-12-25-27-21(28)17-6-5-7-20(26-17)29-11-24-18-8-14(3)15(9-16(18)22(29)30)19(33-4)10-34(23,31)32/h5-9,11-13,19H,10H2,1-4H3,(H2,23,31,32).
What are the key properties of 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide?
2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide is sourced from PubChem (CID 175495711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).