N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

C26H24N2O3 — CID 112771444

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C26H24N2O3/c1-17-21(16-25(31)27-14-13-18-11-12-23(29)24(30)15-18)26(19-7-3-2-4-8-19)20-9-5-6-10-22(20)28-17/h2-12,15,29-30H,13-14,16H2,1H3,(H,27,31)
InChIKeyDIQFRGJJPWOLKX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.52
Rot. Bonds6

About N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (PubChem CID 112771444) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
PubChem CID112771444
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C26H24N2O3/c1-17-21(16-25(31)27-14-13-18-11-12-23(29)24(30)15-18)26(19-7-3-2-4-8-19)20-9-5-6-10-22(20)28-17/h2-12,15,29-30H,13-14,16H2,1H3,(H,27,31)
InChIKeyDIQFRGJJPWOLKX-UHFFFAOYSA-N
XLogP4.52
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112788926
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112794841
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159315
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
CID 112834104
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 78796877

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (CID 112771444) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCc1ccc(O)c(O)c1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The InChIKey is DIQFRGJJPWOLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-21(16-25(31)27-14-13-18-11-12-23(29)24(30)15-18)26(19-7-3-2-4-8-19)20-9-5-6-10-22(20)28-17/h2-12,15,29-30H,13-14,16H2,1H3,(H,27,31).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 112771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).