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

C21H22N2O3 — CID 69031420

IUPACquinolin-8-yl N-(4-pentoxyphenyl)carbamate
SMILESCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C21H22N2O3/c1-2-3-4-15-25-18-12-10-17(11-13-18)23-21(24)26-19-9-5-7-16-8-6-14-22-20(16)19/h5-14H,2-4,15H2,1H3,(H,23,24)
InChIKeyBMRKBZNJBKGZGG-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.41
Rot. Bonds7

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

quinolin-8-yl N-(4-pentoxyphenyl)carbamate (PubChem CID 69031420) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is quinolin-8-yl N-(4-pentoxyphenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(4-pentoxyphenyl)carbamate
PubChem CID69031420
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namequinolin-8-yl N-(4-pentoxyphenyl)carbamate
SMILESCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C21H22N2O3/c1-2-3-4-15-25-18-12-10-17(11-13-18)23-21(24)26-19-9-5-7-16-8-6-14-22-20(16)19/h5-14H,2-4,15H2,1H3,(H,23,24)
InChIKeyBMRKBZNJBKGZGG-UHFFFAOYSA-N
XLogP5.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746
quinolin-8-yl N-(4-decoxyphenyl)carbamate
CID 69033339
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
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
quinolin-8-yl 2-ethylhexanoate
CID 163430049
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 3994710
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(4-pentoxyphenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(4-pentoxyphenyl)carbamate (CID 69031420) is quinolin-8-yl N-(4-pentoxyphenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(4-pentoxyphenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(4-pentoxyphenyl)carbamate is CCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1.
What is the InChIKey of quinolin-8-yl N-(4-pentoxyphenyl)carbamate?
The InChIKey is BMRKBZNJBKGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-3-4-15-25-18-12-10-17(11-13-18)23-21(24)26-19-9-5-7-16-8-6-14-22-20(16)19/h5-14H,2-4,15H2,1H3,(H,23,24).
What are the key properties of quinolin-8-yl N-(4-pentoxyphenyl)carbamate?
quinolin-8-yl N-(4-pentoxyphenyl)carbamate has a molecular weight of 350.42 g/mol, XLogP of 5.41, 7 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-pentoxyphenyl)carbamate is sourced from PubChem (CID 69031420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).