N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide

C25H30N2O3 — CID 123824387

IUPACN-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide
SMILESCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1
InChIInChI=1S/C25H30N2O3/c1-2-3-13-26-24(30)15-20-16-27-23-10-5-4-9-22(23)25(20)19-8-6-7-18(14-19)11-12-21(29)17-28/h4-10,14,16,21,28-29H,2-3,11-13,15,17H2,1H3,(H,26,30)
InChIKeyWAXNVZKRAYVUGJ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.65
Rot. Bonds10

About N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide

N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide (PubChem CID 123824387) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide
PubChem CID123824387
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide
SMILESCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1
InChIInChI=1S/C25H30N2O3/c1-2-3-13-26-24(30)15-20-16-27-23-10-5-4-9-22(23)25(20)19-8-6-7-18(14-19)11-12-21(29)17-28/h4-10,14,16,21,28-29H,2-3,11-13,15,17H2,1H3,(H,26,30)
InChIKeyWAXNVZKRAYVUGJ-UHFFFAOYSA-N
XLogP3.65
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[(3R)-3,4-dihydroxybutyl]phenyl]quinolin-3-yl]acetic acid
CID 125492607
2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide
CID 155200096
N-(4-hydroxybutyl)-2-(4-phenyl-8-propylquinolin-3-yl)acetamide
CID 144823376
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
ethane;ethyl 2-[4-(3-bromophenyl)quinolin-3-yl]acetate;ethyl 2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetate;4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3-dioxolan-2-one
CID 158579425
1-(4-phenylquinolin-3-yl)nonan-2-one
CID 149426498
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-butylquinazoline-4-carboxamide
CID 110702643
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-benzyl-3,4-dihydroxybutanamide
CID 69242116
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide (CID 123824387) is N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide is CCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.
What is the InChIKey of N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide?
The InChIKey is WAXNVZKRAYVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-3-13-26-24(30)15-20-16-27-23-10-5-4-9-22(23)25(20)19-8-6-7-18(14-19)11-12-21(29)17-28/h4-10,14,16,21,28-29H,2-3,11-13,15,17H2,1H3,(H,26,30).
What are the key properties of N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide?
N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide is sourced from PubChem (CID 123824387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).