(2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

C18H19N5O — CID 71925130

IUPAC(2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC2(C)C)nnn1-c1cccc2cccnc12
InChIInChI=1S/C18H19N5O/c1-12-15(17(24)22-11-9-18(22,2)3)20-21-23(12)14-8-4-6-13-7-5-10-19-16(13)14/h4-8,10H,9,11H2,1-3H3
InChIKeyKEFXQUNSMPJUCW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds2

About (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

(2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (PubChem CID 71925130) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
PubChem CID71925130
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC2(C)C)nnn1-c1cccc2cccnc12
InChIInChI=1S/C18H19N5O/c1-12-15(17(24)22-11-9-18(22,2)3)20-21-23(12)14-8-4-6-13-7-5-10-19-16(13)14/h4-8,10H,9,11H2,1-3H3
InChIKeyKEFXQUNSMPJUCW-UHFFFAOYSA-N
XLogP2.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The IUPAC name of (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (CID 71925130) is (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The canonical SMILES for (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCC2(C)C)nnn1-c1cccc2cccnc12.
What is the InChIKey of (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The InChIKey is KEFXQUNSMPJUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-15(17(24)22-11-9-18(22,2)3)20-21-23(12)14-8-4-6-13-7-5-10-19-16(13)14/h4-8,10H,9,11H2,1-3H3.
What are the key properties of (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
(2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylazetidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is sourced from PubChem (CID 71925130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).