4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline

C14H17N3 — CID 178089563

IUPAC4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline
SMILESCc1nc(N2CC(C)(C)C2)c2ccccc2n1
InChIInChI=1S/C14H17N3/c1-10-15-12-7-5-4-6-11(12)13(16-10)17-8-14(2,3)9-17/h4-7H,8-9H2,1-3H3
InChIKeyVIOCLMHPOZZMCA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds1

About 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline

4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline (PubChem CID 178089563) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline.

Molecular Properties

Compound Name4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline
PubChem CID178089563
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline
SMILESCc1nc(N2CC(C)(C)C2)c2ccccc2n1
InChIInChI=1S/C14H17N3/c1-10-15-12-7-5-4-6-11(12)13(16-10)17-8-14(2,3)9-17/h4-7H,8-9H2,1-3H3
InChIKeyVIOCLMHPOZZMCA-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline?
The IUPAC name of 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline (CID 178089563) is 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline.
What is the SMILES notation for 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline?
The canonical SMILES for 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline is Cc1nc(N2CC(C)(C)C2)c2ccccc2n1.
What is the InChIKey of 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline?
The InChIKey is VIOCLMHPOZZMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-15-12-7-5-4-6-11(12)13(16-10)17-8-14(2,3)9-17/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline?
4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline has a molecular weight of 227.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline is sourced from PubChem (CID 178089563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).