tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate

C18H23N3O3 — CID 51217671

IUPACtert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)20-12-6-10-15(22)21-14-9-4-7-13-8-5-11-19-16(13)14/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVDYLWTROJPFNOG-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.48
Rot. Bonds5

About tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate

tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate (PubChem CID 51217671) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
PubChem CID51217671
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nametert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)20-12-6-10-15(22)21-14-9-4-7-13-8-5-11-19-16(13)14/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVDYLWTROJPFNOG-UHFFFAOYSA-N
XLogP3.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
N-quinolin-8-ylundecanamide
CID 3567928
tert-butyl N-[4-(2-chloroanilino)-4-oxobutyl]carbamate
CID 9032052
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate (CID 51217671) is tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate?
The InChIKey is VDYLWTROJPFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)20-12-6-10-15(22)21-14-9-4-7-13-8-5-11-19-16(13)14/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate?
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate is sourced from PubChem (CID 51217671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).