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

C25H30N2O3 — CID 69032746

IUPACquinolin-8-yl N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-19-29-22-16-14-21(15-17-22)27-25(28)30-23-13-9-11-20-12-10-18-26-24(20)23/h9-18H,2-8,19H2,1H3,(H,27,28)
InChIKeyDNTBCTBESVBTQQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.98
Rot. Bonds11

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

quinolin-8-yl N-(4-nonoxyphenyl)carbamate (PubChem CID 69032746) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is quinolin-8-yl N-(4-nonoxyphenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(4-nonoxyphenyl)carbamate
PubChem CID69032746
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Namequinolin-8-yl N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-19-29-22-16-14-21(15-17-22)27-25(28)30-23-13-9-11-20-12-10-18-26-24(20)23/h9-18H,2-8,19H2,1H3,(H,27,28)
InChIKeyDNTBCTBESVBTQQ-UHFFFAOYSA-N
XLogP6.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.98
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-decoxyphenyl)carbamate
CID 69033339
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-nonoxyphenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(4-nonoxyphenyl)carbamate (CID 69032746) is quinolin-8-yl N-(4-nonoxyphenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(4-nonoxyphenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(4-nonoxyphenyl)carbamate is CCCCCCCCCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1.
What is the InChIKey of quinolin-8-yl N-(4-nonoxyphenyl)carbamate?
The InChIKey is DNTBCTBESVBTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-19-29-22-16-14-21(15-17-22)27-25(28)30-23-13-9-11-20-12-10-18-26-24(20)23/h9-18H,2-8,19H2,1H3,(H,27,28).
What are the key properties of quinolin-8-yl N-(4-nonoxyphenyl)carbamate?
quinolin-8-yl N-(4-nonoxyphenyl)carbamate has a molecular weight of 406.53 g/mol, XLogP of 6.98, 11 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-nonoxyphenyl)carbamate is sourced from PubChem (CID 69032746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).