4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one

C22H18ClN3O2 — CID 121342339

IUPAC4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one
SMILESCOc1ncccc1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C22H18ClN3O2/c1-28-22-17(6-3-9-24-22)15-7-8-19-18(11-15)20(12-21(27)26-19)25-13-14-4-2-5-16(23)10-14/h2-12H,13H2,1H3,(H2,25,26,27)
InChIKeyICRKRTSBMFYDHJ-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.86
Rot. Bonds5

About 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one

4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one (PubChem CID 121342339) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one
PubChem CID121342339
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one
SMILESCOc1ncccc1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C22H18ClN3O2/c1-28-22-17(6-3-9-24-22)15-7-8-19-18(11-15)20(12-21(27)26-19)25-13-14-4-2-5-16(23)10-14/h2-12H,13H2,1H3,(H2,25,26,27)
InChIKeyICRKRTSBMFYDHJ-UHFFFAOYSA-N
XLogP4.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxy-3-pyridinyl)-1H-indazol-3-amine
CID 68739130
N-[(3-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660476
N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
CID 2245086
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136881783
N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine
CID 175312103
5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 67982478
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111176633
1-[2-(3-chlorophenyl)ethyl]-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111358229
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
CID 54865712

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one?
The IUPAC name of 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one (CID 121342339) is 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one?
The canonical SMILES for 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one is COc1ncccc1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one?
The InChIKey is ICRKRTSBMFYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-28-22-17(6-3-9-24-22)15-7-8-19-18(11-15)20(12-21(27)26-19)25-13-14-4-2-5-16(23)10-14/h2-12H,13H2,1H3,(H2,25,26,27).
What are the key properties of 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one?
4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one has a molecular weight of 391.86 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylamino]-6-(2-methoxy-3-pyridinyl)-1H-quinolin-2-one is sourced from PubChem (CID 121342339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).