methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate

C15H17N3O3 — CID 113063198

IUPACmethyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C15H17N3O3/c1-11(19)18(10-9-17-15(20)21-2)13-7-3-5-12-6-4-8-16-14(12)13/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyYZWSSCFQUARNSV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds4

About methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate

methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate (PubChem CID 113063198) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
PubChem CID113063198
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C15H17N3O3/c1-11(19)18(10-9-17-15(20)21-2)13-7-3-5-12-6-4-8-16-14(12)13/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyYZWSSCFQUARNSV-UHFFFAOYSA-N
XLogP1.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
CID 113063202
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate (CID 113063198) is methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate is COC(=O)NCCN(C(C)=O)c1cccc2cccnc12.
What is the InChIKey of methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate?
The InChIKey is YZWSSCFQUARNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(19)18(10-9-17-15(20)21-2)13-7-3-5-12-6-4-8-16-14(12)13/h3-8H,9-10H2,1-2H3,(H,17,20).
What are the key properties of methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate?
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate is sourced from PubChem (CID 113063198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).