1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone

C20H24N2O2 — CID 68626879

IUPAC1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N)cc2C(C)(c2ccc(O)cc2)CC1(C)C
InChIInChI=1S/C20H24N2O2/c1-13(23)22-18-10-7-15(21)11-17(18)20(4,12-19(22,2)3)14-5-8-16(24)9-6-14/h5-11,24H,12,21H2,1-4H3
InChIKeyIOSYHXMXIFFXDN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds1

About 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone

1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone (PubChem CID 68626879) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
PubChem CID68626879
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N)cc2C(C)(c2ccc(O)cc2)CC1(C)C
InChIInChI=1S/C20H24N2O2/c1-13(23)22-18-10-7-15(21)11-17(18)20(4,12-19(22,2)3)14-5-8-16(24)9-6-14/h5-11,24H,12,21H2,1-4H3
InChIKeyIOSYHXMXIFFXDN-UHFFFAOYSA-N
XLogP3.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone (CID 68626879) is 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(N)cc2C(C)(c2ccc(O)cc2)CC1(C)C.
What is the InChIKey of 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone?
The InChIKey is IOSYHXMXIFFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(23)22-18-10-7-15(21)11-17(18)20(4,12-19(22,2)3)14-5-8-16(24)9-6-14/h5-11,24H,12,21H2,1-4H3.
What are the key properties of 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone?
1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone is sourced from PubChem (CID 68626879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).