1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide

C21H24N2O2 — CID 173105280

IUPAC1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide
SMILESCC(=O)N1c2ccccc2C(C)(c2ccccc2)C(C(N)=O)C1(C)C
InChIInChI=1S/C21H24N2O2/c1-14(24)23-17-13-9-8-12-16(17)21(4,15-10-6-5-7-11-15)18(19(22)25)20(23,2)3/h5-13,18H,1-4H3,(H2,22,25)
InChIKeyMYUNBTFLCNFAJS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.24
Rot. Bonds2

About 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide

1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide (PubChem CID 173105280) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide
PubChem CID173105280
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide
SMILESCC(=O)N1c2ccccc2C(C)(c2ccccc2)C(C(N)=O)C1(C)C
InChIInChI=1S/C21H24N2O2/c1-14(24)23-17-13-9-8-12-16(17)21(4,15-10-6-5-7-11-15)18(19(22)25)20(23,2)3/h5-13,18H,1-4H3,(H2,22,25)
InChIKeyMYUNBTFLCNFAJS-UHFFFAOYSA-N
XLogP3.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide?
The IUPAC name of 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide (CID 173105280) is 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide.
What is the SMILES notation for 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide?
The canonical SMILES for 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide is CC(=O)N1c2ccccc2C(C)(c2ccccc2)C(C(N)=O)C1(C)C.
What is the InChIKey of 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide?
The InChIKey is MYUNBTFLCNFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(24)23-17-13-9-8-12-16(17)21(4,15-10-6-5-7-11-15)18(19(22)25)20(23,2)3/h5-13,18H,1-4H3,(H2,22,25).
What are the key properties of 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide?
1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-3-carboxamide is sourced from PubChem (CID 173105280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).