N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide

C17H16N2OS — CID 110734093

IUPACN-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1ccc2ccccc2n1
InChIInChI=1S/C17H16N2OS/c20-17(10-9-15-5-3-11-21-15)18-12-14-8-7-13-4-1-2-6-16(13)19-14/h1-8,11H,9-10,12H2,(H,18,20)
InChIKeyMNUKZWTYEIUQNP-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.55
Rot. Bonds5

About N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide

N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 110734093) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID110734093
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1ccc2ccccc2n1
InChIInChI=1S/C17H16N2OS/c20-17(10-9-15-5-3-11-21-15)18-12-14-8-7-13-4-1-2-6-16(13)19-14/h1-8,11H,9-10,12H2,(H,18,20)
InChIKeyMNUKZWTYEIUQNP-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 166207351
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 95324633
N'-(2-naphthalen-1-ylacetyl)-3-thiophen-2-ylpropanehydrazide
CID 42386767
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110666367
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylpropanamide
CID 56791234

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide (CID 110734093) is N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCc1ccc2ccccc2n1.
What is the InChIKey of N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is MNUKZWTYEIUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(10-9-15-5-3-11-21-15)18-12-14-8-7-13-4-1-2-6-16(13)19-14/h1-8,11H,9-10,12H2,(H,18,20).
What are the key properties of N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide?
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 296.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110734093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).