1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one

C16H18N4O — CID 80580287

IUPAC1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one
SMILESCCn1ccn(Cc2cc3ccccc3nc2NC)c1=O
InChIInChI=1S/C16H18N4O/c1-3-19-8-9-20(16(19)21)11-13-10-12-6-4-5-7-14(12)18-15(13)17-2/h4-10H,3,11H2,1-2H3,(H,17,18)
InChIKeyDWLJJWJCDHWHJQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.31
Rot. Bonds4

About 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one

1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one (PubChem CID 80580287) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one
PubChem CID80580287
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one
SMILESCCn1ccn(Cc2cc3ccccc3nc2NC)c1=O
InChIInChI=1S/C16H18N4O/c1-3-19-8-9-20(16(19)21)11-13-10-12-6-4-5-7-14(12)18-15(13)17-2/h4-10H,3,11H2,1-2H3,(H,17,18)
InChIKeyDWLJJWJCDHWHJQ-UHFFFAOYSA-N
XLogP2.31
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one (CID 80580287) is 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one is CCn1ccn(Cc2cc3ccccc3nc2NC)c1=O.
What is the InChIKey of 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one?
The InChIKey is DWLJJWJCDHWHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-19-8-9-20(16(19)21)11-13-10-12-6-4-5-7-14(12)18-15(13)17-2/h4-10H,3,11H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one?
1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one is sourced from PubChem (CID 80580287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).