3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one

C19H20N2O2 — CID 947754

IUPAC3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3cc(C)ccc3C)cc2c1
InChIInChI=1S/C19H20N2O2/c1-12-4-5-13(2)18(8-12)20-11-15-9-14-10-16(23-3)6-7-17(14)21-19(15)22/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyRUBMXZKGYONRSP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.77
Rot. Bonds4

About 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one

3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 947754) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID947754
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3cc(C)ccc3C)cc2c1
InChIInChI=1S/C19H20N2O2/c1-12-4-5-13(2)18(8-12)20-11-15-9-14-10-16(23-3)6-7-17(14)21-19(15)22/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyRUBMXZKGYONRSP-UHFFFAOYSA-N
XLogP3.77
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cilostamide
CID 2753
Haplamine
CID 648601
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
hDHODH-IN-11
CID 146269042
2-(benzylamino)-N-(4-methoxy-2,5-dimethylphenyl)-2-thioxoacetamide
CID 2976298
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3330477
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
3-(4-tert-Butylphenyl)-N-(4-methoxyphenyl)acrylamide
CID 680436
N-(Cinnamoyl)-4-methoxyaniline
CID 690965

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one (CID 947754) is 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3cc(C)ccc3C)cc2c1.
What is the InChIKey of 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is RUBMXZKGYONRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-4-5-13(2)18(8-12)20-11-15-9-14-10-16(23-3)6-7-17(14)21-19(15)22/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one?
3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 947754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).