7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one

C20H21ClN2O2 — CID 177346615

IUPAC7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1c(Cl)cccc1C1(Nc2ccc3c(c2)N(C)C(=O)CC3)COC1
InChIInChI=1S/C20H21ClN2O2/c1-13-16(4-3-5-17(13)21)20(11-25-12-20)22-15-8-6-14-7-9-19(24)23(2)18(14)10-15/h3-6,8,10,22H,7,9,11-12H2,1-2H3
InChIKeyOYHWGRNPCQSORO-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.90
Rot. Bonds3

About 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one

7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 177346615) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID177346615
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1c(Cl)cccc1C1(Nc2ccc3c(c2)N(C)C(=O)CC3)COC1
InChIInChI=1S/C20H21ClN2O2/c1-13-16(4-3-5-17(13)21)20(11-25-12-20)22-15-8-6-14-7-9-19(24)23(2)18(14)10-15/h3-6,8,10,22H,7,9,11-12H2,1-2H3
InChIKeyOYHWGRNPCQSORO-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-[[3-(3-chloro-2-methylphenyl)-1-methylazetidin-3-yl]amino]-3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one
CID 176997301
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
7-[[3-(3-chloro-2-methylphenyl)oxolan-3-yl]amino]-5-fluoro-2-methylisoquinolin-1-one
CID 177346424
6-[[3-(3-chloro-2-methylphenyl)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1,3,3-trimethylindol-2-one
CID 176997319
6-[[1-but-2-ynoyl-3-(3-chloro-2-methylphenyl)pyrrolidin-3-yl]amino]-1,3,3-trimethylindol-2-one
CID 176996941
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
1-[3-(3-chloro-2-methylphenyl)-3-[(1,3,3-trimethyl-2H-indol-6-yl)amino]pyrrolidin-1-yl]but-2-yn-1-one
CID 176997439
3-(3-chloro-2-methylphenyl)-3-[[3,3-dimethyl-1-(oxan-4-ylmethyl)-2-oxoindol-6-yl]amino]azetidine-1-carbaldehyde;prop-1-ene
CID 176997147
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
4-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[[1-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]benzamide
CID 66703688
N-[3-(3-chloro-2-methylphenyl)thietan-3-yl]quinolin-7-amine
CID 177346190
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 177346615) is 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one is Cc1c(Cl)cccc1C1(Nc2ccc3c(c2)N(C)C(=O)CC3)COC1.
What is the InChIKey of 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is OYHWGRNPCQSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-16(4-3-5-17(13)21)20(11-25-12-20)22-15-8-6-14-7-9-19(24)23(2)18(14)10-15/h3-6,8,10,22H,7,9,11-12H2,1-2H3.
What are the key properties of 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one?
7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 356.85 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 177346615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).