3-[(3-methylanilino)methyl]-1H-quinolin-2-one

C17H16N2O — CID 944018

IUPAC3-[(3-methylanilino)methyl]-1H-quinolin-2-one
SMILESCc1cccc(NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H16N2O/c1-12-5-4-7-15(9-12)18-11-14-10-13-6-2-3-8-16(13)19-17(14)20/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyAZDJWDUVYFFBFV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds3

About 3-[(3-methylanilino)methyl]-1H-quinolin-2-one

3-[(3-methylanilino)methyl]-1H-quinolin-2-one (PubChem CID 944018) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(3-methylanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-methylanilino)methyl]-1H-quinolin-2-one
PubChem CID944018
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[(3-methylanilino)methyl]-1H-quinolin-2-one
SMILESCc1cccc(NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H16N2O/c1-12-5-4-7-15(9-12)18-11-14-10-13-6-2-3-8-16(13)19-17(14)20/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyAZDJWDUVYFFBFV-UHFFFAOYSA-N
XLogP3.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
CID 75403102
3-[[3-[[(R)-methylsulfinyl]methyl]anilino]methyl]-1H-quinolin-2-one
CID 97236761
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(3-methylanilino)methyl]-1H-quinolin-2-one (CID 944018) is 3-[(3-methylanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-methylanilino)methyl]-1H-quinolin-2-one is Cc1cccc(NCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
The InChIKey is AZDJWDUVYFFBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-5-4-7-15(9-12)18-11-14-10-13-6-2-3-8-16(13)19-17(14)20/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of 3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
3-[(3-methylanilino)methyl]-1H-quinolin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 944018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).