(3-methyltriazol-4-yl)-quinolin-5-ylmethanone

C13H10N4O — CID 105131406

IUPAC(3-methyltriazol-4-yl)-quinolin-5-ylmethanone
SMILESCn1nncc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C13H10N4O/c1-17-12(8-15-16-17)13(18)10-4-2-6-11-9(10)5-3-7-14-11/h2-8H,1H3
InChIKeyKWEIUSFQDJALAR-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds2

About (3-methyltriazol-4-yl)-quinolin-5-ylmethanone

(3-methyltriazol-4-yl)-quinolin-5-ylmethanone (PubChem CID 105131406) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-quinolin-5-ylmethanone
PubChem CID105131406
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(3-methyltriazol-4-yl)-quinolin-5-ylmethanone
SMILESCn1nncc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C13H10N4O/c1-17-12(8-15-16-17)13(18)10-4-2-6-11-9(10)5-3-7-14-11/h2-8H,1H3
InChIKeyKWEIUSFQDJALAR-UHFFFAOYSA-N
XLogP1.59
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
1H-imidazol-5-yl(quinolin-5-yl)methanone
CID 59749571
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
CID 115789920
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-quinolin-5-ylmethanone?
The IUPAC name of (3-methyltriazol-4-yl)-quinolin-5-ylmethanone (CID 105131406) is (3-methyltriazol-4-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (3-methyltriazol-4-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (3-methyltriazol-4-yl)-quinolin-5-ylmethanone is Cn1nncc1C(=O)c1cccc2ncccc12.
What is the InChIKey of (3-methyltriazol-4-yl)-quinolin-5-ylmethanone?
The InChIKey is KWEIUSFQDJALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-17-12(8-15-16-17)13(18)10-4-2-6-11-9(10)5-3-7-14-11/h2-8H,1H3.
What are the key properties of (3-methyltriazol-4-yl)-quinolin-5-ylmethanone?
(3-methyltriazol-4-yl)-quinolin-5-ylmethanone has a molecular weight of 238.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 105131406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).