1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one

C15H18N4O — CID 95473943

IUPAC1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCNCc1ncc(-c2ccc3c(c2)CCC(=O)N3C)[nH]1
InChIInChI=1S/C15H18N4O/c1-16-9-14-17-8-12(18-14)10-3-5-13-11(7-10)4-6-15(20)19(13)2/h3,5,7-8,16H,4,6,9H2,1-2H3,(H,17,18)
InChIKeyIPNBYNOCYLYMAV-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.71
Rot. Bonds3

About 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one

1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 95473943) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID95473943
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCNCc1ncc(-c2ccc3c(c2)CCC(=O)N3C)[nH]1
InChIInChI=1S/C15H18N4O/c1-16-9-14-17-8-12(18-14)10-3-5-13-11(7-10)4-6-15(20)19(13)2/h3,5,7-8,16H,4,6,9H2,1-2H3,(H,17,18)
InChIKeyIPNBYNOCYLYMAV-UHFFFAOYSA-N
XLogP1.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one (CID 95473943) is 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one is CNCc1ncc(-c2ccc3c(c2)CCC(=O)N3C)[nH]1.
What is the InChIKey of 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is IPNBYNOCYLYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-9-14-17-8-12(18-14)10-3-5-13-11(7-10)4-6-15(20)19(13)2/h3,5,7-8,16H,4,6,9H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 95473943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).