3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one

C17H15ClN2O — CID 107631320

IUPAC3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
SMILESCc1ccc(Cl)c(NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H15ClN2O/c1-11-6-7-14(18)16(8-11)19-10-13-9-12-4-2-3-5-15(12)20-17(13)21/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyRNTDKAVSPFOQIJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.10
Rot. Bonds3

About 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one

3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one (PubChem CID 107631320) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
PubChem CID107631320
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
SMILESCc1ccc(Cl)c(NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H15ClN2O/c1-11-6-7-14(18)16(8-11)19-10-13-9-12-4-2-3-5-15(12)20-17(13)21/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyRNTDKAVSPFOQIJ-UHFFFAOYSA-N
XLogP4.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
CID 171669839
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995
3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 167878867
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one (CID 107631320) is 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one is Cc1ccc(Cl)c(NCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one?
The InChIKey is RNTDKAVSPFOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-6-7-14(18)16(8-11)19-10-13-9-12-4-2-3-5-15(12)20-17(13)21/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one?
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one has a molecular weight of 298.77 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 107631320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).