cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C17H21BrN2O3 — CID 52936109

IUPACcyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(Br)cc2[C@@H](NC(=O)OC2CCC2)C[C@H]1C
InChIInChI=1S/C17H21BrN2O3/c1-10-8-15(19-17(22)23-13-4-3-5-13)14-9-12(18)6-7-16(14)20(10)11(2)21/h6-7,9-10,13,15H,3-5,8H2,1-2H3,(H,19,22)/t10-,15+/m1/s1
InChIKeyUXDSGGKSQRMJBE-BMIGLBTASA-N
MW381.27 g/mol
LogP3.91
Rot. Bonds2

About cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 52936109) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namecyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID52936109
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC Namecyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(Br)cc2[C@@H](NC(=O)OC2CCC2)C[C@H]1C
InChIInChI=1S/C17H21BrN2O3/c1-10-8-15(19-17(22)23-13-4-3-5-13)14-9-12(18)6-7-16(14)20(10)11(2)21/h6-7,9-10,13,15H,3-5,8H2,1-2H3,(H,19,22)/t10-,15+/m1/s1
InChIKeyUXDSGGKSQRMJBE-BMIGLBTASA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate with MolForge

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Related Compounds

cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 52933390
N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 21092854
1-[(2S,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118870774
4-[(2R,4S)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 52935882
propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 123333686
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-3-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141504
N-[(2S,4R)-1-acetyl-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-4-yl]-N'-hydroxyoctanediamide
CID 90667454
propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 86669230
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141767
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 87080319
propan-2-yl N-[(2S,4R)-1-acetyl-6-[3-(cyclopropanecarbonylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141810
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52935022

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 52936109) is cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(Br)cc2[C@@H](NC(=O)OC2CCC2)C[C@H]1C.
What is the InChIKey of cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is UXDSGGKSQRMJBE-BMIGLBTASA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-10-8-15(19-17(22)23-13-4-3-5-13)14-9-12(18)6-7-16(14)20(10)11(2)21/h6-7,9-10,13,15H,3-5,8H2,1-2H3,(H,19,22)/t10-,15+/m1/s1.
What are the key properties of cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 381.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 52936109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).