quinolin-8-yl N-(4-decoxyphenyl)carbamate

C26H32N2O3 — CID 69033339

IUPACquinolin-8-yl N-(4-decoxyphenyl)carbamate
SMILESCCCCCCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C26H32N2O3/c1-2-3-4-5-6-7-8-9-20-30-23-17-15-22(16-18-23)28-26(29)31-24-14-10-12-21-13-11-19-27-25(21)24/h10-19H,2-9,20H2,1H3,(H,28,29)
InChIKeyHYLGJYSEUSAKIJ-UHFFFAOYSA-N
MW420.55 g/mol
LogP7.37
Rot. Bonds12

About quinolin-8-yl N-(4-decoxyphenyl)carbamate

quinolin-8-yl N-(4-decoxyphenyl)carbamate (PubChem CID 69033339) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is quinolin-8-yl N-(4-decoxyphenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(4-decoxyphenyl)carbamate
PubChem CID69033339
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Namequinolin-8-yl N-(4-decoxyphenyl)carbamate
SMILESCCCCCCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C26H32N2O3/c1-2-3-4-5-6-7-8-9-20-30-23-17-15-22(16-18-23)28-26(29)31-24-14-10-12-21-13-11-19-27-25(21)24/h10-19H,2-9,20H2,1H3,(H,28,29)
InChIKeyHYLGJYSEUSAKIJ-UHFFFAOYSA-N
XLogP7.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze quinolin-8-yl N-(4-decoxyphenyl)carbamate 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

quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746
quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
CID 69033100
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 3994710
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
quinolin-8-yl 2-ethylhexanoate
CID 163430049
6-[dimethyl-[2-oxo-2-(4-tetradecoxyanilino)ethyl]azaniumyl]hexyl-dimethyl-[2-oxo-2-(4-tetradecoxyanilino)ethyl]azanium
CID 175685561
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(4-decoxyphenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(4-decoxyphenyl)carbamate (CID 69033339) is quinolin-8-yl N-(4-decoxyphenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(4-decoxyphenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(4-decoxyphenyl)carbamate is CCCCCCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1.
What is the InChIKey of quinolin-8-yl N-(4-decoxyphenyl)carbamate?
The InChIKey is HYLGJYSEUSAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-2-3-4-5-6-7-8-9-20-30-23-17-15-22(16-18-23)28-26(29)31-24-14-10-12-21-13-11-19-27-25(21)24/h10-19H,2-9,20H2,1H3,(H,28,29).
What are the key properties of quinolin-8-yl N-(4-decoxyphenyl)carbamate?
quinolin-8-yl N-(4-decoxyphenyl)carbamate has a molecular weight of 420.55 g/mol, XLogP of 7.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl N-(4-decoxyphenyl)carbamate is sourced from PubChem (CID 69033339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).