N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide

C19H17ClN2OS — CID 55488341

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C19H17ClN2OS/c1-2-11-22(13-16-8-9-17(20)24-16)18(23)12-15-6-3-5-14-7-4-10-21-19(14)15/h2-10H,1,11-13H2
InChIKeyFFTLGDAUOZKDII-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.71
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide (PubChem CID 55488341) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide
PubChem CID55488341
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C19H17ClN2OS/c1-2-11-22(13-16-8-9-17(20)24-16)18(23)12-15-6-3-5-14-7-4-10-21-19(14)15/h2-10H,1,11-13H2
InChIKeyFFTLGDAUOZKDII-UHFFFAOYSA-N
XLogP4.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55462086
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide
CID 55756311
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 60646137
6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
CID 54869456
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 62045486

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide (CID 55488341) is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide is C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide?
The InChIKey is FFTLGDAUOZKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-2-11-22(13-16-8-9-17(20)24-16)18(23)12-15-6-3-5-14-7-4-10-21-19(14)15/h2-10H,1,11-13H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide has a molecular weight of 356.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide is sourced from PubChem (CID 55488341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).