6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide

C20H24N2O2 — CID 3127094

IUPAC6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide
SMILESCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)Nc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14-13-20(2,3)22(18-11-10-16(24-4)12-17(14)18)19(23)21-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,21,23)
InChIKeyCGMKEHFXLIZFQF-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.02
Rot. Bonds2

About 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide

6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide (PubChem CID 3127094) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide
PubChem CID3127094
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide
SMILESCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)Nc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14-13-20(2,3)22(18-11-10-16(24-4)12-17(14)18)19(23)21-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,21,23)
InChIKeyCGMKEHFXLIZFQF-UHFFFAOYSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide?
The IUPAC name of 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide (CID 3127094) is 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide.
What is the SMILES notation for 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide?
The canonical SMILES for 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide is COc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)Nc1ccccc1.
What is the InChIKey of 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide?
The InChIKey is CGMKEHFXLIZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-13-20(2,3)22(18-11-10-16(24-4)12-17(14)18)19(23)21-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,21,23).
What are the key properties of 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide?
6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 3127094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).