N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide

C22H23N3O2 — CID 53020840

IUPACN-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)Nc3ccc(O)cc3)cc(N3CCCCC3)c2c1
InChIInChI=1S/C22H23N3O2/c1-15-5-10-19-18(13-15)21(25-11-3-2-4-12-25)14-20(24-19)22(27)23-16-6-8-17(26)9-7-16/h5-10,13-14,26H,2-4,11-12H2,1H3,(H,23,27)
InChIKeyZWHPKQOUYHCFEA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.49
Rot. Bonds3

About N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide

N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide (PubChem CID 53020840) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
PubChem CID53020840
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)Nc3ccc(O)cc3)cc(N3CCCCC3)c2c1
InChIInChI=1S/C22H23N3O2/c1-15-5-10-19-18(13-15)21(25-11-3-2-4-12-25)14-20(24-19)22(27)23-16-6-8-17(26)9-7-16/h5-10,13-14,26H,2-4,11-12H2,1H3,(H,23,27)
InChIKeyZWHPKQOUYHCFEA-UHFFFAOYSA-N
XLogP4.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
CID 53036018
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020839
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
6-methyl-2,4-di(piperidin-1-yl)quinoline
CID 14338122
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate
CID 142582046

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide (CID 53020840) is N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide is Cc1ccc2nc(C(=O)Nc3ccc(O)cc3)cc(N3CCCCC3)c2c1.
What is the InChIKey of N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
The InChIKey is ZWHPKQOUYHCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-5-10-19-18(13-15)21(25-11-3-2-4-12-25)14-20(24-19)22(27)23-16-6-8-17(26)9-7-16/h5-10,13-14,26H,2-4,11-12H2,1H3,(H,23,27).
What are the key properties of N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide is sourced from PubChem (CID 53020840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).