tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate

C17H21ClN2O2 — CID 87146008

IUPACtert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate
SMILESCc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(Cl)nc12
InChIInChI=1S/C17H21ClN2O2/c1-10-7-6-8-12-9-13(15(18)20-14(10)12)11(2)19-16(21)22-17(3,4)5/h6-9,11H,1-5H3,(H,19,21)/t11-/m0/s1
InChIKeyRXIOSWNXVHSGOL-NSHDSACASA-N
MW320.82 g/mol
LogP4.78
Rot. Bonds2

About tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate (PubChem CID 87146008) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate
PubChem CID87146008
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Nametert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate
SMILESCc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(Cl)nc12
InChIInChI=1S/C17H21ClN2O2/c1-10-7-6-8-12-9-13(15(18)20-14(10)12)11(2)19-16(21)22-17(3,4)5/h6-9,11H,1-5H3,(H,19,21)/t11-/m0/s1
InChIKeyRXIOSWNXVHSGOL-NSHDSACASA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]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-[(1S)-1-(2-chloro-5-fluoro-8-methylquinolin-3-yl)ethyl]carbamate
CID 140576941
tert-butyl N-[(1S)-1-(8-methyl-2-thiomorpholin-4-ylquinolin-3-yl)ethyl]carbamate
CID 140576921
tert-butyl N-[(1S)-1-[8-chloro-2-(2-methoxyethylamino)quinolin-3-yl]ethyl]carbamate
CID 140578708
tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate
CID 140576929
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl N-[(1S)-1-[8-chloro-2-(pyridin-2-ylmethylamino)quinolin-3-yl]ethyl]carbamate
CID 123948903
tert-butyl N-[1-[8-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-3-yl]ethyl]carbamate
CID 123560504
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
CID 67124202
tert-butyl N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]carbamate
CID 177202082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate (CID 87146008) is tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate is Cc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(Cl)nc12.
What is the InChIKey of tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate?
The InChIKey is RXIOSWNXVHSGOL-NSHDSACASA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-10-7-6-8-12-9-13(15(18)20-14(10)12)11(2)19-16(21)22-17(3,4)5/h6-9,11H,1-5H3,(H,19,21)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate has a molecular weight of 320.82 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]carbamate is sourced from PubChem (CID 87146008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).