2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one

C18H21N5O — CID 163349539

IUPAC2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
SMILESCCc1nccn1CC1CN(c2nc3ccccc3c(=O)n2C)C1
InChIInChI=1S/C18H21N5O/c1-3-16-19-8-9-22(16)10-13-11-23(12-13)18-20-15-7-5-4-6-14(15)17(24)21(18)2/h4-9,13H,3,10-12H2,1-2H3
InChIKeyCWROETXIGRIFFE-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.83
Rot. Bonds4

About 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one

2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one (PubChem CID 163349539) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
PubChem CID163349539
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
SMILESCCc1nccn1CC1CN(c2nc3ccccc3c(=O)n2C)C1
InChIInChI=1S/C18H21N5O/c1-3-16-19-8-9-22(16)10-13-11-23(12-13)18-20-15-7-5-4-6-14(15)17(24)21(18)2/h4-9,13H,3,10-12H2,1-2H3
InChIKeyCWROETXIGRIFFE-UHFFFAOYSA-N
XLogP1.83
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one (CID 163349539) is 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one is CCc1nccn1CC1CN(c2nc3ccccc3c(=O)n2C)C1.
What is the InChIKey of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is CWROETXIGRIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-16-19-8-9-22(16)10-13-11-23(12-13)18-20-15-7-5-4-6-14(15)17(24)21(18)2/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one?
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 163349539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).