2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one

C21H23N3O2 — CID 122135267

IUPAC2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
SMILESCn1c(CN2CCOC(Cc3ccccc3)C2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-23-20(22-19-10-6-5-9-18(19)21(23)25)15-24-11-12-26-17(14-24)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyIONNWZINMFPXOW-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one

2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one (PubChem CID 122135267) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
PubChem CID122135267
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
SMILESCn1c(CN2CCOC(Cc3ccccc3)C2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-23-20(22-19-10-6-5-9-18(19)21(23)25)15-24-11-12-26-17(14-24)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyIONNWZINMFPXOW-UHFFFAOYSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one (CID 122135267) is 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one is Cn1c(CN2CCOC(Cc3ccccc3)C2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one?
The InChIKey is IONNWZINMFPXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23-20(22-19-10-6-5-9-18(19)21(23)25)15-24-11-12-26-17(14-24)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3.
What are the key properties of 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one?
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one has a molecular weight of 349.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 122135267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).