(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide

C21H20N2O2S — CID 166219335

IUPAC(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide
SMILESC[C@H](Oc1cnc2ccccc2c1)C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C21H20N2O2S/c1-14(25-16-12-15-6-2-4-8-18(15)22-13-16)21(24)23-19-10-11-26-20-9-5-3-7-17(19)20/h2-9,12-14,19H,10-11H2,1H3,(H,23,24)/t14-,19?/m0/s1
InChIKeyHILXBLOUCQFDJU-KTQQKIMGSA-N
MW364.47 g/mol
LogP4.36
Rot. Bonds4

About (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide

(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide (PubChem CID 166219335) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide
PubChem CID166219335
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide
SMILESC[C@H](Oc1cnc2ccccc2c1)C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C21H20N2O2S/c1-14(25-16-12-15-6-2-4-8-18(15)22-13-16)21(24)23-19-10-11-26-20-9-5-3-7-17(19)20/h2-9,12-14,19H,10-11H2,1H3,(H,23,24)/t14-,19?/m0/s1
InChIKeyHILXBLOUCQFDJU-KTQQKIMGSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-acetylphenoxy)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 41037695
(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide
CID 166236275
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 24547789
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
(2R)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
CID 31661579
(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
CID 31661584
(2S)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
CID 31661595
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide?
The IUPAC name of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide (CID 166219335) is (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide.
What is the SMILES notation for (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide?
The canonical SMILES for (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide is C[C@H](Oc1cnc2ccccc2c1)C(=O)NC1CCSc2ccccc21.
What is the InChIKey of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide?
The InChIKey is HILXBLOUCQFDJU-KTQQKIMGSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14(25-16-12-15-6-2-4-8-18(15)22-13-16)21(24)23-19-10-11-26-20-9-5-3-7-17(19)20/h2-9,12-14,19H,10-11H2,1H3,(H,23,24)/t14-,19?/m0/s1.
What are the key properties of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide?
(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide has a molecular weight of 364.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide is sourced from PubChem (CID 166219335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).