N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine

C17H21ClN2O — CID 103066735

IUPACN-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H21ClN2O/c1-12(10-20-17(2,3)4)11-21-15-8-7-14(18)13-6-5-9-19-16(13)15/h5-9,20H,1,10-11H2,2-4H3
InChIKeyHGSOKWVUACCGDG-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.21
Rot. Bonds5

About N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine

N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine (PubChem CID 103066735) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine
PubChem CID103066735
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H21ClN2O/c1-12(10-20-17(2,3)4)11-21-15-8-7-14(18)13-6-5-9-19-16(13)15/h5-9,20H,1,10-11H2,2-4H3
InChIKeyHGSOKWVUACCGDG-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066835
potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide
CID 106746593
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
CID 115960646
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine (CID 103066735) is N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
The InChIKey is HGSOKWVUACCGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(10-20-17(2,3)4)11-21-15-8-7-14(18)13-6-5-9-19-16(13)15/h5-9,20H,1,10-11H2,2-4H3.
What are the key properties of N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103066735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).