(5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone

C17H17N5O2 — CID 56784515

IUPAC(5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C17H17N5O2/c1-12-16(17(23)21-7-9-24-10-8-21)19-20-22(12)14-4-5-15-13(11-14)3-2-6-18-15/h2-6,11H,7-10H2,1H3
InChIKeyCHVKTVJDKFWVCA-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.60
Rot. Bonds2

About (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone

(5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 56784515) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone
PubChem CID56784515
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C17H17N5O2/c1-12-16(17(23)21-7-9-24-10-8-21)19-20-22(12)14-4-5-15-13(11-14)3-2-6-18-15/h2-6,11H,7-10H2,1H3
InChIKeyCHVKTVJDKFWVCA-UHFFFAOYSA-N
XLogP1.60
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone (CID 56784515) is (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is CHVKTVJDKFWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-16(17(23)21-7-9-24-10-8-21)19-20-22(12)14-4-5-15-13(11-14)3-2-6-18-15/h2-6,11H,7-10H2,1H3.
What are the key properties of (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone?
(5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 323.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-quinolin-6-yltriazol-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 56784515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).