tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate

C15H17ClN2O2 — CID 14991373

IUPACtert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate
SMILESCc1ccc2nc(NC(=O)OC(C)(C)C)cc(Cl)c2c1
InChIInChI=1S/C15H17ClN2O2/c1-9-5-6-12-10(7-9)11(16)8-13(17-12)18-14(19)20-15(2,3)4/h5-8H,1-4H3,(H,17,18,19)
InChIKeyMOKBMJFYLFMSAI-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.54
Rot. Bonds1

About tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate

tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate (PubChem CID 14991373) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate
PubChem CID14991373
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nametert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate
SMILESCc1ccc2nc(NC(=O)OC(C)(C)C)cc(Cl)c2c1
InChIInChI=1S/C15H17ClN2O2/c1-9-5-6-12-10(7-9)11(16)8-13(17-12)18-14(19)20-15(2,3)4/h5-8H,1-4H3,(H,17,18,19)
InChIKeyMOKBMJFYLFMSAI-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate 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-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-[2-[(2-chloro-6-methylquinazolin-4-yl)amino]ethyl]carbamate
CID 86691423
tert-butyl N-(4-acetylquinolin-2-yl)carbamate
CID 118689136
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate
CID 86691449
4-chloro-6-methylquinoline-2-carboxamide
CID 14991372
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate (CID 14991373) is tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate is Cc1ccc2nc(NC(=O)OC(C)(C)C)cc(Cl)c2c1.
What is the InChIKey of tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate?
The InChIKey is MOKBMJFYLFMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-5-6-12-10(7-9)11(16)8-13(17-12)18-14(19)20-15(2,3)4/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate?
tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate has a molecular weight of 292.77 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate is sourced from PubChem (CID 14991373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).