1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone

C18H16N2O — CID 116581336

IUPAC1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
SMILESCc1ccc(N)c(C(=O)Cc2ccnc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c1-12-6-7-16(19)15(10-12)18(21)11-13-8-9-20-17-5-3-2-4-14(13)17/h2-10H,11,19H2,1H3
InChIKeyLCZUWHHMDUHRKZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone

1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone (PubChem CID 116581336) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
PubChem CID116581336
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
SMILESCc1ccc(N)c(C(=O)Cc2ccnc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c1-12-6-7-16(19)15(10-12)18(21)11-13-8-9-20-17-5-3-2-4-14(13)17/h2-10H,11,19H2,1H3
InChIKeyLCZUWHHMDUHRKZ-UHFFFAOYSA-N
XLogP3.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
CID 82697873
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
5-methyl-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79234908
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979736
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone (CID 116581336) is 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone is Cc1ccc(N)c(C(=O)Cc2ccnc3ccccc23)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone?
The InChIKey is LCZUWHHMDUHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-7-16(19)15(10-12)18(21)11-13-8-9-20-17-5-3-2-4-14(13)17/h2-10H,11,19H2,1H3.
What are the key properties of 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone?
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 116581336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).