2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide

C27H31N3O5 — CID 2893403

IUPAC2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC
InChIInChI=1S/C27H31N3O5/c1-15-22(26(32)30-21-9-7-8-10-28-21)23(24-17(29-15)13-27(2,3)14-18(24)31)16-11-19(33-4)25(35-6)20(12-16)34-5/h7-12,23,29H,13-14H2,1-6H3,(H,28,30,32)
InChIKeyMGKLDFHVUXBAJG-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.35
Rot. Bonds6

About 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide

2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 2893403) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID2893403
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC
InChIInChI=1S/C27H31N3O5/c1-15-22(26(32)30-21-9-7-8-10-28-21)23(24-17(29-15)13-27(2,3)14-18(24)31)16-11-19(33-4)25(35-6)20(12-16)34-5/h7-12,23,29H,13-14H2,1-6H3,(H,28,30,32)
InChIKeyMGKLDFHVUXBAJG-UHFFFAOYSA-N
XLogP4.35
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 67980666
3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide
CID 659323
N-(6-Isobutyrylamino-4-methyl-pyridin-3-yl)-3,4,5-trimethoxy-benzamide
CID 648353
3,4,5-triethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 649583
N-(6-Isobutyrylamino-pyridin-3-yl)-3,4,5-trimethoxy-benzamide
CID 654653
(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1318862
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3,4,5-trimethoxy-benzamide
CID 1452715
N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
CID 2916982
4-Methyl-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015891
3-Methyl-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015893
cis-(1R,2S)-2-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 118716937

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 2893403) is 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide is COc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC.
What is the InChIKey of 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is MGKLDFHVUXBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-15-22(26(32)30-21-9-7-8-10-28-21)23(24-17(29-15)13-27(2,3)14-18(24)31)16-11-19(33-4)25(35-6)20(12-16)34-5/h7-12,23,29H,13-14H2,1-6H3,(H,28,30,32).
What are the key properties of 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 2893403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).