3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one

C17H16N6O2 — CID 75401119

IUPAC3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one
SMILESCc1c(C(=O)N2CC(=O)N(C)C2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C17H16N6O2/c1-11-15(17(25)22-9-14(24)21(2)10-22)19-20-23(11)13-7-3-5-12-6-4-8-18-16(12)13/h3-8H,9-10H2,1-2H3
InChIKeyQCFGXNVCNTZWCC-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.00
Rot. Bonds2

About 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one

3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one (PubChem CID 75401119) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one
PubChem CID75401119
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one
SMILESCc1c(C(=O)N2CC(=O)N(C)C2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C17H16N6O2/c1-11-15(17(25)22-9-14(24)21(2)10-22)19-20-23(11)13-7-3-5-12-6-4-8-18-16(12)13/h3-8H,9-10H2,1-2H3
InChIKeyQCFGXNVCNTZWCC-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one?
The IUPAC name of 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one (CID 75401119) is 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one is Cc1c(C(=O)N2CC(=O)N(C)C2)nnn1-c1cccc2cccnc12.
What is the InChIKey of 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one?
The InChIKey is QCFGXNVCNTZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-15(17(25)22-9-14(24)21(2)10-22)19-20-23(11)13-7-3-5-12-6-4-8-18-16(12)13/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one?
3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one has a molecular weight of 336.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)imidazolidin-4-one is sourced from PubChem (CID 75401119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).