5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one

C20H19N3O2 — CID 167767638

IUPAC5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one
SMILESCc1nc(COc2ccc(C3CCC(=O)N3)cc2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c1-13-16-4-2-3-5-18(16)22-19(21-13)12-25-15-8-6-14(7-9-15)17-10-11-20(24)23-17/h2-9,17H,10-12H2,1H3,(H,23,24)
InChIKeyOSSSMUHDUDMSMW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.47
Rot. Bonds4

About 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one

5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 167767638) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one
PubChem CID167767638
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one
SMILESCc1nc(COc2ccc(C3CCC(=O)N3)cc2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c1-13-16-4-2-3-5-18(16)22-19(21-13)12-25-15-8-6-14(7-9-15)17-10-11-20(24)23-17/h2-9,17H,10-12H2,1H3,(H,23,24)
InChIKeyOSSSMUHDUDMSMW-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one (CID 167767638) is 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one is Cc1nc(COc2ccc(C3CCC(=O)N3)cc2)nc2ccccc12.
What is the InChIKey of 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is OSSSMUHDUDMSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-16-4-2-3-5-18(16)22-19(21-13)12-25-15-8-6-14(7-9-15)17-10-11-20(24)23-17/h2-9,17H,10-12H2,1H3,(H,23,24).
What are the key properties of 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one?
5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167767638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).