3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide

C17H17BrN2O2 — CID 171669839

IUPAC3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
SMILESBr.Cc1ccc2cc(CNc3ccccc3O)c(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O2.BrH/c1-11-6-7-12-9-13(17(21)19-15(12)8-11)10-18-14-4-2-3-5-16(14)20;/h2-9,18,20H,10H2,1H3,(H,19,21);1H
InChIKeyWICUIPVJSTXTPF-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.73
Rot. Bonds3

About 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide

3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide (PubChem CID 171669839) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide.

Molecular Properties

Compound Name3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
PubChem CID171669839
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
SMILESBr.Cc1ccc2cc(CNc3ccccc3O)c(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O2.BrH/c1-11-6-7-12-9-13(17(21)19-15(12)8-11)10-18-14-4-2-3-5-16(14)20;/h2-9,18,20H,10H2,1H3,(H,19,21);1H
InChIKeyWICUIPVJSTXTPF-UHFFFAOYSA-N
XLogP3.73
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132764881
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide?
The IUPAC name of 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide (CID 171669839) is 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide.
What is the SMILES notation for 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide?
The canonical SMILES for 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide is Br.Cc1ccc2cc(CNc3ccccc3O)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide?
The InChIKey is WICUIPVJSTXTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.BrH/c1-11-6-7-12-9-13(17(21)19-15(12)8-11)10-18-14-4-2-3-5-16(14)20;/h2-9,18,20H,10H2,1H3,(H,19,21);1H.
What are the key properties of 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide?
3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide has a molecular weight of 361.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide is sourced from PubChem (CID 171669839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).