2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide

C33H37N3O — CID 139923875

IUPAC2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide
SMILESCC1(C)CCCC(C)(C)N1Cc1ccc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2n1
InChIInChI=1S/C33H37N3O/c1-32(2)19-8-20-33(3,4)36(32)23-29-16-15-27-22-28(17-18-30(27)34-29)35-31(37)21-24-11-13-26(14-12-24)25-9-6-5-7-10-25/h5-7,9-18,22H,8,19-21,23H2,1-4H3,(H,35,37)
InChIKeyPYVNIBRNVVSYFW-UHFFFAOYSA-N
MW491.68 g/mol
LogP7.63
Rot. Bonds6

About 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide

2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide (PubChem CID 139923875) has the molecular formula C33H37N3O and a molecular weight of 491.68 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide
PubChem CID139923875
Molecular FormulaC33H37N3O
Molecular Weight491.68 g/mol
Exact Mass491.29
IUPAC Name2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide
SMILESCC1(C)CCCC(C)(C)N1Cc1ccc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2n1
InChIInChI=1S/C33H37N3O/c1-32(2)19-8-20-33(3,4)36(32)23-29-16-15-27-22-28(17-18-30(27)34-29)35-31(37)21-24-11-13-26(14-12-24)25-9-6-5-7-10-25/h5-7,9-18,22H,8,19-21,23H2,1-4H3,(H,35,37)
InChIKeyPYVNIBRNVVSYFW-UHFFFAOYSA-N
XLogP7.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide (CID 139923875) is 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide is CC1(C)CCCC(C)(C)N1Cc1ccc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2n1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide?
The InChIKey is PYVNIBRNVVSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O/c1-32(2)19-8-20-33(3,4)36(32)23-29-16-15-27-22-28(17-18-30(27)34-29)35-31(37)21-24-11-13-26(14-12-24)25-9-6-5-7-10-25/h5-7,9-18,22H,8,19-21,23H2,1-4H3,(H,35,37).
What are the key properties of 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide?
2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide has a molecular weight of 491.68 g/mol, XLogP of 7.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 139923875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).