2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride

C17H24ClN3O — CID 6602912

IUPAC2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride
SMILESCl.[H]/N=c1\ccn(CC(=O)N(CCC)CCC)c2ccccc12
InChIInChI=1S/C17H23N3O.ClH/c1-3-10-19(11-4-2)17(21)13-20-12-9-15(18)14-7-5-6-8-16(14)20;/h5-9,12,18H,3-4,10-11,13H2,1-2H3;1H/b18-15+;
InChIKeyNVWUYDXXFCKABS-FLNCGGNMSA-N
MW321.85 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride

2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride (PubChem CID 6602912) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride
PubChem CID6602912
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride
SMILESCl.[H]/N=c1\ccn(CC(=O)N(CCC)CCC)c2ccccc12
InChIInChI=1S/C17H23N3O.ClH/c1-3-10-19(11-4-2)17(21)13-20-12-9-15(18)14-7-5-6-8-16(14)20;/h5-9,12,18H,3-4,10-11,13H2,1-2H3;1H/b18-15+;
InChIKeyNVWUYDXXFCKABS-FLNCGGNMSA-N
XLogP3.19
TPSA49.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride?
The IUPAC name of 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride (CID 6602912) is 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride?
The canonical SMILES for 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride is Cl.[H]/N=c1\ccn(CC(=O)N(CCC)CCC)c2ccccc12.
What is the InChIKey of 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride?
The InChIKey is NVWUYDXXFCKABS-FLNCGGNMSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-3-10-19(11-4-2)17(21)13-20-12-9-15(18)14-7-5-6-8-16(14)20;/h5-9,12,18H,3-4,10-11,13H2,1-2H3;1H/b18-15+;.
What are the key properties of 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride?
2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride is sourced from PubChem (CID 6602912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).