2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide

C14H16ClN3O — CID 112699417

IUPAC2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H16ClN3O/c1-2-17-13(19)9-16-8-10-5-6-12(15)11-4-3-7-18-14(10)11/h3-7,16H,2,8-9H2,1H3,(H,17,19)
InChIKeyZOLXYSBKCVTDEU-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.11
Rot. Bonds5

About 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide

2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide (PubChem CID 112699417) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
PubChem CID112699417
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H16ClN3O/c1-2-17-13(19)9-16-8-10-5-6-12(15)11-4-3-7-18-14(10)11/h3-7,16H,2,8-9H2,1H3,(H,17,19)
InChIKeyZOLXYSBKCVTDEU-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115967899
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide (CID 112699417) is 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide?
The InChIKey is ZOLXYSBKCVTDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-17-13(19)9-16-8-10-5-6-12(15)11-4-3-7-18-14(10)11/h3-7,16H,2,8-9H2,1H3,(H,17,19).
What are the key properties of 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide?
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide has a molecular weight of 277.75 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 112699417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).