4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline

C18H17N3O — CID 136542455

IUPAC4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline
SMILESCOC1(c2ccccc2)CN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H17N3O/c1-22-18(14-7-3-2-4-8-14)11-21(12-18)17-15-9-5-6-10-16(15)19-13-20-17/h2-10,13H,11-12H2,1H3
InChIKeyDZFLCHGCLDMYMK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.99
Rot. Bonds3

About 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline

4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline (PubChem CID 136542455) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline
PubChem CID136542455
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline
SMILESCOC1(c2ccccc2)CN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H17N3O/c1-22-18(14-7-3-2-4-8-14)11-21(12-18)17-15-9-5-6-10-16(15)19-13-20-17/h2-10,13H,11-12H2,1H3
InChIKeyDZFLCHGCLDMYMK-UHFFFAOYSA-N
XLogP2.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline?
The IUPAC name of 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline (CID 136542455) is 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline.
What is the SMILES notation for 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline?
The canonical SMILES for 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline is COC1(c2ccccc2)CN(c2ncnc3ccccc23)C1.
What is the InChIKey of 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline?
The InChIKey is DZFLCHGCLDMYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-22-18(14-7-3-2-4-8-14)11-21(12-18)17-15-9-5-6-10-16(15)19-13-20-17/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline?
4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline has a molecular weight of 291.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-phenylazetidin-1-yl)quinazoline is sourced from PubChem (CID 136542455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).