tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate

C21H31N3O3 — CID 136622252

IUPACtert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate
SMILESCCN(CCCN(C)C(=O)OC(C)(C)C)c1c(O)c(C)cc2cccnc12
InChIInChI=1S/C21H31N3O3/c1-7-24(13-9-12-23(6)20(26)27-21(3,4)5)18-17-16(10-8-11-22-17)14-15(2)19(18)25/h8,10-11,14,25H,7,9,12-13H2,1-6H3
InChIKeyIFYPSIBLYBXVDU-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.33
Rot. Bonds6

About tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate

tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate (PubChem CID 136622252) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate
PubChem CID136622252
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Nametert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate
SMILESCCN(CCCN(C)C(=O)OC(C)(C)C)c1c(O)c(C)cc2cccnc12
InChIInChI=1S/C21H31N3O3/c1-7-24(13-9-12-23(6)20(26)27-21(3,4)5)18-17-16(10-8-11-22-17)14-15(2)19(18)25/h8,10-11,14,25H,7,9,12-13H2,1-6H3
InChIKeyIFYPSIBLYBXVDU-UHFFFAOYSA-N
XLogP4.33
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate
CID 90267828
tert-butyl N-[2-[(3-carbamoyl-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 141414305
tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate
CID 126818833
tert-butyl N-methyl-N-[4-(2-sulfanylphenyl)butyl]carbamate
CID 91391747
3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]benzoic acid
CID 166174882
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 163661402
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate
CID 170355765
tert-butyl N-[2-[(7-chloro-8-hydroxy-2-methylquinolin-5-yl)sulfonyl-methylamino]ethyl]-N-methylcarbamate
CID 54752647

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate (CID 136622252) is tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate is CCN(CCCN(C)C(=O)OC(C)(C)C)c1c(O)c(C)cc2cccnc12.
What is the InChIKey of tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate?
The InChIKey is IFYPSIBLYBXVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-7-24(13-9-12-23(6)20(26)27-21(3,4)5)18-17-16(10-8-11-22-17)14-15(2)19(18)25/h8,10-11,14,25H,7,9,12-13H2,1-6H3.
What are the key properties of tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate has a molecular weight of 373.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[ethyl-(7-hydroxy-6-methylquinolin-8-yl)amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 136622252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).