[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone

C20H15ClN4O — CID 10338717

IUPAC[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone
SMILESCc1cc(-n2nnc(C(=O)c3ccccc3)c2C)c2ccc(Cl)cc2n1
InChIInChI=1S/C20H15ClN4O/c1-12-10-18(16-9-8-15(21)11-17(16)22-12)25-13(2)19(23-24-25)20(26)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyFGTGSYHZVNHVSQ-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.32
Rot. Bonds3

About [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone

[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone (PubChem CID 10338717) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone
PubChem CID10338717
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone
SMILESCc1cc(-n2nnc(C(=O)c3ccccc3)c2C)c2ccc(Cl)cc2n1
InChIInChI=1S/C20H15ClN4O/c1-12-10-18(16-9-8-15(21)11-17(16)22-12)25-13(2)19(23-24-25)20(26)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyFGTGSYHZVNHVSQ-UHFFFAOYSA-N
XLogP4.32
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone (CID 10338717) is [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone is Cc1cc(-n2nnc(C(=O)c3ccccc3)c2C)c2ccc(Cl)cc2n1.
What is the InChIKey of [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone?
The InChIKey is FGTGSYHZVNHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-12-10-18(16-9-8-15(21)11-17(16)22-12)25-13(2)19(23-24-25)20(26)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone?
[1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone has a molecular weight of 362.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-2-methylquinolin-4-yl)-5-methyltriazol-4-yl]-phenylmethanone is sourced from PubChem (CID 10338717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).