3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one

C18H16N2O — CID 933826

IUPAC3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one
SMILESCc1cccc(/N=C/c2cc3ccccc3[nH]c2=O)c1C
InChIInChI=1S/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-11-15-10-14-7-3-4-8-17(14)20-18(15)21/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyPSVKFNVRKNRNGB-YBFXNURJSA-N
MW276.34 g/mol
LogP3.90
Rot. Bonds2

About 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one

3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one (PubChem CID 933826) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one
PubChem CID933826
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one
SMILESCc1cccc(/N=C/c2cc3ccccc3[nH]c2=O)c1C
InChIInChI=1S/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-11-15-10-14-7-3-4-8-17(14)20-18(15)21/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyPSVKFNVRKNRNGB-YBFXNURJSA-N
XLogP3.90
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 947598
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
(Z)-4-(((3-(diethylamino)propyl)amino)methylene)-2-(m-tolyl)isoquinoline-1,3(2H,4H)-dione
CID 4891463
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-[(2-hydroxyquinolin-4-yl)methyl]-2-methyl-N-phenylpropanamide
CID 664261
N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-N-phenylbutanamide
CID 946508
Benzamide, N-(2,3-dimethylphenyl)-2-methyl-
CID 841943
3-Methyl-4-phenyl-1,2-dihydroquinolin-2-one
CID 616488

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one (CID 933826) is 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one is Cc1cccc(/N=C/c2cc3ccccc3[nH]c2=O)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one?
The InChIKey is PSVKFNVRKNRNGB-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-11-15-10-14-7-3-4-8-17(14)20-18(15)21/h3-11H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one?
3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)iminomethyl]-1H-quinolin-2-one is sourced from PubChem (CID 933826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).