1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one

C19H22N6O — CID 162747895

IUPAC1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one
SMILESCCn1ncc(Nc2ncc3ccc(N4C(=O)CCC4C)cc3n2)c1C
InChIInChI=1S/C19H22N6O/c1-4-24-13(3)17(11-21-24)23-19-20-10-14-6-7-15(9-16(14)22-19)25-12(2)5-8-18(25)26/h6-7,9-12H,4-5,8H2,1-3H3,(H,20,22,23)
InChIKeyRAVSOJNNWSHJNC-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.41
Rot. Bonds4

About 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one

1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one (PubChem CID 162747895) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one
PubChem CID162747895
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one
SMILESCCn1ncc(Nc2ncc3ccc(N4C(=O)CCC4C)cc3n2)c1C
InChIInChI=1S/C19H22N6O/c1-4-24-13(3)17(11-21-24)23-19-20-10-14-6-7-15(9-16(14)22-19)25-12(2)5-8-18(25)26/h6-7,9-12H,4-5,8H2,1-3H3,(H,20,22,23)
InChIKeyRAVSOJNNWSHJNC-UHFFFAOYSA-N
XLogP3.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one (CID 162747895) is 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one is CCn1ncc(Nc2ncc3ccc(N4C(=O)CCC4C)cc3n2)c1C.
What is the InChIKey of 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one?
The InChIKey is RAVSOJNNWSHJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-4-24-13(3)17(11-21-24)23-19-20-10-14-6-7-15(9-16(14)22-19)25-12(2)5-8-18(25)26/h6-7,9-12H,4-5,8H2,1-3H3,(H,20,22,23).
What are the key properties of 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one?
1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one has a molecular weight of 350.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 162747895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).