1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one

C15H19N5O — CID 43783931

IUPAC1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one
SMILESCC(NC1CC(=O)N(C)c2ccccc21)c1nncn1C
InChIInChI=1S/C15H19N5O/c1-10(15-18-16-9-19(15)2)17-12-8-14(21)20(3)13-7-5-4-6-11(12)13/h4-7,9-10,12,17H,8H2,1-3H3
InChIKeyVOSOTRQSPSQQNJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds3

About 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one

1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one (PubChem CID 43783931) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one
PubChem CID43783931
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one
SMILESCC(NC1CC(=O)N(C)c2ccccc21)c1nncn1C
InChIInChI=1S/C15H19N5O/c1-10(15-18-16-9-19(15)2)17-12-8-14(21)20(3)13-7-5-4-6-11(12)13/h4-7,9-10,12,17H,8H2,1-3H3
InChIKeyVOSOTRQSPSQQNJ-UHFFFAOYSA-N
XLogP1.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one (CID 43783931) is 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one is CC(NC1CC(=O)N(C)c2ccccc21)c1nncn1C.
What is the InChIKey of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one?
The InChIKey is VOSOTRQSPSQQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(15-18-16-9-19(15)2)17-12-8-14(21)20(3)13-7-5-4-6-11(12)13/h4-7,9-10,12,17H,8H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one?
1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43783931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).