N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide

C20H20N2O2S — CID 91764754

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C20H20N2O2S/c23-16-9-14(10-16)20(22-19(24)11-17-5-3-7-25-17)15-8-13-4-1-2-6-18(13)21-12-15/h1-8,12,14,16,20,23H,9-11H2,(H,22,24)
InChIKeyHBCZHBMZEONBGX-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.47
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide (PubChem CID 91764754) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
PubChem CID91764754
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C20H20N2O2S/c23-16-9-14(10-16)20(22-19(24)11-17-5-3-7-25-17)15-8-13-4-1-2-6-18(13)21-12-15/h1-8,12,14,16,20,23H,9-11H2,(H,22,24)
InChIKeyHBCZHBMZEONBGX-UHFFFAOYSA-N
XLogP3.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
CID 91790371
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
CID 91768467
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91778980
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol
CID 91791309
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide (CID 91764754) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide?
The InChIKey is HBCZHBMZEONBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-16-9-14(10-16)20(22-19(24)11-17-5-3-7-25-17)15-8-13-4-1-2-6-18(13)21-12-15/h1-8,12,14,16,20,23H,9-11H2,(H,22,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide has a molecular weight of 352.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91764754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).