benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate

C21H20N2O2 — CID 170494232

IUPACbenzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate
SMILESO=C(NCCC=Cc1cccc2cccnc12)OCc1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(25-16-17-8-2-1-3-9-17)23-14-5-4-10-18-11-6-12-19-13-7-15-22-20(18)19/h1-4,6-13,15H,5,14,16H2,(H,23,24)
InChIKeyKDOSQTRUDWFOLK-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.56
Rot. Bonds6

About benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate

benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate (PubChem CID 170494232) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate
PubChem CID170494232
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Namebenzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate
SMILESO=C(NCCC=Cc1cccc2cccnc12)OCc1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(25-16-17-8-2-1-3-9-17)23-14-5-4-10-18-11-6-12-19-13-7-15-22-20(18)19/h1-4,6-13,15H,5,14,16H2,(H,23,24)
InChIKeyKDOSQTRUDWFOLK-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
benzyl N-[4-[2-(2-oxopropyl)phenyl]but-3-enyl]carbamate
CID 170494360
benzyl N-[4-[2-(aminomethyl)phenyl]but-3-enyl]carbamate
CID 170493744
benzyl N-[4-(2-amino-3-methylphenyl)but-3-enyl]carbamate
CID 170493750
benzyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
CID 170494790
benzyl N-[4-(4-chloro-3-pyridinyl)but-3-enyl]carbamate
CID 170493492
2-[[2-[4-(phenylmethoxycarbonylamino)but-1-enyl]benzoyl]amino]acetic acid
CID 170495183
benzyl N-[4-(2-fluorosulfonylphenyl)but-3-enyl]carbamate
CID 170494331
benzyl N-[4-(3-amino-2-cyanophenyl)but-3-enyl]carbamate
CID 170493997
benzyl N-[4-(4-chloropyrimidin-5-yl)but-3-enyl]carbamate
CID 170493458
benzyl N-[4-(2-chloro-6-methyl-3-pyridinyl)but-3-enyl]carbamate
CID 170493737
benzyl N-[4-(2,5-dichloro-3-pyridinyl)but-3-enyl]carbamate
CID 170493768

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate?
The IUPAC name of benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate (CID 170494232) is benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate.
What is the SMILES notation for benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate?
The canonical SMILES for benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate is O=C(NCCC=Cc1cccc2cccnc12)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate?
The InChIKey is KDOSQTRUDWFOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(25-16-17-8-2-1-3-9-17)23-14-5-4-10-18-11-6-12-19-13-7-15-22-20(18)19/h1-4,6-13,15H,5,14,16H2,(H,23,24).
What are the key properties of benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate?
benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate has a molecular weight of 332.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate is sourced from PubChem (CID 170494232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).