N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide

C13H17BrN2O — CID 88862534

IUPACN-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide
SMILESCCC[C@@H]1C[C@H](NC=O)c2cc(Br)ccc2N1
InChIInChI=1S/C13H17BrN2O/c1-2-3-10-7-13(15-8-17)11-6-9(14)4-5-12(11)16-10/h4-6,8,10,13,16H,2-3,7H2,1H3,(H,15,17)/t10-,13+/m1/s1
InChIKeyJZPHQCJZXCZLIW-MFKMUULPSA-N
MW297.20 g/mol
LogP3.22
Rot. Bonds4

About N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide

N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide (PubChem CID 88862534) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide.

Molecular Properties

Compound NameN-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide
PubChem CID88862534
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide
SMILESCCC[C@@H]1C[C@H](NC=O)c2cc(Br)ccc2N1
InChIInChI=1S/C13H17BrN2O/c1-2-3-10-7-13(15-8-17)11-6-9(14)4-5-12(11)16-10/h4-6,8,10,13,16H,2-3,7H2,1H3,(H,15,17)/t10-,13+/m1/s1
InChIKeyJZPHQCJZXCZLIW-MFKMUULPSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
4-phenyl-2-propyl-1,2,3,4-tetrahydroquinoline
CID 139220205
6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713313
methyl N-[(2R,4S)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 58639253
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571895
N-(4-bromo-2-cyclopropylphenyl)acetamide
CID 70079841
CID 101024891
CID 101024891
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10401600
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
CID 84641162
5-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydroindol-2-one
CID 174456109

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide?
The IUPAC name of N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide (CID 88862534) is N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide.
What is the SMILES notation for N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide?
The canonical SMILES for N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide is CCC[C@@H]1C[C@H](NC=O)c2cc(Br)ccc2N1.
What is the InChIKey of N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide?
The InChIKey is JZPHQCJZXCZLIW-MFKMUULPSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-3-10-7-13(15-8-17)11-6-9(14)4-5-12(11)16-10/h4-6,8,10,13,16H,2-3,7H2,1H3,(H,15,17)/t10-,13+/m1/s1.
What are the key properties of N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide?
N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide has a molecular weight of 297.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-6-bromo-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]formamide is sourced from PubChem (CID 88862534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).