3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one

C16H14ClN3O — CID 167878867

IUPAC3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1cc(Cl)cnc1NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H14ClN3O/c1-10-6-13(17)9-19-15(10)18-8-12-7-11-4-2-3-5-14(11)20-16(12)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeySFTUPYVYVNTGLG-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.50
Rot. Bonds3

About 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one

3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 167878867) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
PubChem CID167878867
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1cc(Cl)cnc1NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H14ClN3O/c1-10-6-13(17)9-19-15(10)18-8-12-7-11-4-2-3-5-14(11)20-16(12)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeySFTUPYVYVNTGLG-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one (CID 167878867) is 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one is Cc1cc(Cl)cnc1NCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is SFTUPYVYVNTGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-6-13(17)9-19-15(10)18-8-12-7-11-4-2-3-5-14(11)20-16(12)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one?
3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167878867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).