tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate

C18H23N3O4 — CID 71936523

IUPACtert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-9-8-19-15(22)11-13-10-12-6-4-5-7-14(12)21-16(13)23/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyXIJOKHJQWAOSLD-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate (PubChem CID 71936523) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
PubChem CID71936523
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nametert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-9-8-19-15(22)11-13-10-12-6-4-5-7-14(12)21-16(13)23/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyXIJOKHJQWAOSLD-UHFFFAOYSA-N
XLogP1.71
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid
CID 18462565
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 60541350
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
2-(2-oxo-1H-quinolin-3-yl)-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 166340165
N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
CID 60515860
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 47078205
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
tert-butyl N-[3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propyl]carbamate;hydrochloride
CID 70216919

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate (CID 71936523) is tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate?
The InChIKey is XIJOKHJQWAOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-9-8-19-15(22)11-13-10-12-6-4-5-7-14(12)21-16(13)23/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 71936523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).