1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea

C17H22N6O2 — CID 118766860

IUPAC1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCC2CC(=O)N(C)c3ccccc32)nn1
InChIInChI=1S/C17H22N6O2/c1-11(2)23-10-15(20-21-23)19-17(25)18-9-12-8-16(24)22(3)14-7-5-4-6-13(12)14/h4-7,10-12H,8-9H2,1-3H3,(H2,18,19,25)
InChIKeyLGOHFPKGXZUWQI-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.13
Rot. Bonds4

About 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea

1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea (PubChem CID 118766860) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea
PubChem CID118766860
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCC2CC(=O)N(C)c3ccccc32)nn1
InChIInChI=1S/C17H22N6O2/c1-11(2)23-10-15(20-21-23)19-17(25)18-9-12-8-16(24)22(3)14-7-5-4-6-13(12)14/h4-7,10-12H,8-9H2,1-3H3,(H2,18,19,25)
InChIKeyLGOHFPKGXZUWQI-UHFFFAOYSA-N
XLogP2.13
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea?
The IUPAC name of 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea (CID 118766860) is 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea.
What is the SMILES notation for 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea?
The canonical SMILES for 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea is CC(C)n1cc(NC(=O)NCC2CC(=O)N(C)c3ccccc32)nn1.
What is the InChIKey of 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea?
The InChIKey is LGOHFPKGXZUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(2)23-10-15(20-21-23)19-17(25)18-9-12-8-16(24)22(3)14-7-5-4-6-13(12)14/h4-7,10-12H,8-9H2,1-3H3,(H2,18,19,25).
What are the key properties of 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea?
1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea has a molecular weight of 342.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)urea is sourced from PubChem (CID 118766860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).