6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one

C17H16ClN3O2 — CID 118955389

IUPAC6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCCn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
InChIInChI=1S/C17H16ClN3O2/c1-2-21-7-3-4-15(17(21)23)19-10-12-8-11-9-13(18)5-6-14(11)20-16(12)22/h3-9,19H,2,10H2,1H3,(H,20,22)
InChIKeyGWBZTYSDSZBEJE-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.98
Rot. Bonds4

About 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 118955389) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
PubChem CID118955389
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCCn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
InChIInChI=1S/C17H16ClN3O2/c1-2-21-7-3-4-15(17(21)23)19-10-12-8-11-9-13(18)5-6-14(11)20-16(12)22/h3-9,19H,2,10H2,1H3,(H,20,22)
InChIKeyGWBZTYSDSZBEJE-UHFFFAOYSA-N
XLogP2.98
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one (CID 118955389) is 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one is CCn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O.
What is the InChIKey of 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is GWBZTYSDSZBEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-2-21-7-3-4-15(17(21)23)19-10-12-8-11-9-13(18)5-6-14(11)20-16(12)22/h3-9,19H,2,10H2,1H3,(H,20,22).
What are the key properties of 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 329.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1-ethyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).