N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

C23H19N3O3 — CID 78796877

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-21-6-5-15(13-22(21)28)7-12-25-23(29)18-14-20(16-8-10-24-11-9-16)26-19-4-2-1-3-17(18)19/h1-6,8-11,13-14,27-28H,7,12H2,(H,25,29)
InChIKeyZDCXXVZAAVLLIP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 78796877) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID78796877
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-21-6-5-15(13-22(21)28)7-12-25-23(29)18-14-20(16-8-10-24-11-9-16)26-19-4-2-1-3-17(18)19/h1-6,8-11,13-14,27-28H,7,12H2,(H,25,29)
InChIKeyZDCXXVZAAVLLIP-UHFFFAOYSA-N
XLogP3.68
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46655946

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 78796877) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is ZDCXXVZAAVLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21-6-5-15(13-22(21)28)7-12-25-23(29)18-14-20(16-8-10-24-11-9-16)26-19-4-2-1-3-17(18)19/h1-6,8-11,13-14,27-28H,7,12H2,(H,25,29).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 78796877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).