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

C19H28ClN3O — CID 45488952

IUPACN,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\ccn(CC(=O)N(CCCC)CCCC)c2ccccc12
InChIInChI=1S/C19H27N3O.ClH/c1-3-5-12-21(13-6-4-2)19(23)15-22-14-11-17(20)16-9-7-8-10-18(16)22;/h7-11,14,20H,3-6,12-13,15H2,1-2H3;1H/b20-17+;
InChIKeyINZXEVOOFFRIDF-SJEOTZHBSA-N
MW349.91 g/mol
LogP3.97
Rot. Bonds8

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

N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride (PubChem CID 45488952) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride
PubChem CID45488952
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\ccn(CC(=O)N(CCCC)CCCC)c2ccccc12
InChIInChI=1S/C19H27N3O.ClH/c1-3-5-12-21(13-6-4-2)19(23)15-22-14-11-17(20)16-9-7-8-10-18(16)22;/h7-11,14,20H,3-6,12-13,15H2,1-2H3;1H/b20-17+;
InChIKeyINZXEVOOFFRIDF-SJEOTZHBSA-N
XLogP3.97
TPSA49.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride?
The IUPAC name of N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride (CID 45488952) is N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride is Cl.[H]/N=c1\ccn(CC(=O)N(CCCC)CCCC)c2ccccc12.
What is the InChIKey of N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride?
The InChIKey is INZXEVOOFFRIDF-SJEOTZHBSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c1-3-5-12-21(13-6-4-2)19(23)15-22-14-11-17(20)16-9-7-8-10-18(16)22;/h7-11,14,20H,3-6,12-13,15H2,1-2H3;1H/b20-17+;.
What are the key properties of N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride?
N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 45488952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).