(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C25H24N4O2 — CID 71241972

IUPAC(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1nc(C)c2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1
InChIInChI=1S/C25H24N4O2/c1-14-21-9-17(6-7-22(21)29-16(3)28-14)18-10-23-20(5-4-8-26-23)24(11-18)31-15(2)19-12-25(30)27-13-19/h4-11,15,19H,12-13H2,1-3H3,(H,27,30)/t15-,19-/m1/s1
InChIKeyHYXFMJAJQAKJSH-DNVCBOLYSA-N
MW412.49 g/mol
LogP4.37
Rot. Bonds4

About (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241972) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241972
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1nc(C)c2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1
InChIInChI=1S/C25H24N4O2/c1-14-21-9-17(6-7-22(21)29-16(3)28-14)18-10-23-20(5-4-8-26-23)24(11-18)31-15(2)19-12-25(30)27-13-19/h4-11,15,19H,12-13H2,1-3H3,(H,27,30)/t15-,19-/m1/s1
InChIKeyHYXFMJAJQAKJSH-DNVCBOLYSA-N
XLogP4.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241972) is (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is Cc1nc(C)c2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HYXFMJAJQAKJSH-DNVCBOLYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-14-21-9-17(6-7-22(21)29-16(3)28-14)18-10-23-20(5-4-8-26-23)24(11-18)31-15(2)19-12-25(30)27-13-19/h4-11,15,19H,12-13H2,1-3H3,(H,27,30)/t15-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).