(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide

C19H22N2O3 — CID 166236275

IUPAC(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide
SMILESC=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Oc1cnc2ccccc2c1
InChIInChI=1S/C19H22N2O3/c1-3-18-17(9-6-10-23-18)21-19(22)13(2)24-15-11-14-7-4-5-8-16(14)20-12-15/h3-5,7-8,11-13,17-18H,1,6,9-10H2,2H3,(H,21,22)/t13-,17+,18-/m0/s1
InChIKeyPANVFYKWPNHRSA-VHSSKADRSA-N
MW326.40 g/mol
LogP2.85
Rot. Bonds5

About (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide

(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide (PubChem CID 166236275) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide
PubChem CID166236275
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide
SMILESC=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Oc1cnc2ccccc2c1
InChIInChI=1S/C19H22N2O3/c1-3-18-17(9-6-10-23-18)21-19(22)13(2)24-15-11-14-7-4-5-8-16(14)20-12-15/h3-5,7-8,11-13,17-18H,1,6,9-10H2,2H3,(H,21,22)/t13-,17+,18-/m0/s1
InChIKeyPANVFYKWPNHRSA-VHSSKADRSA-N
XLogP2.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide
CID 166219335
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-quinolin-3-yloxypropanenitrile
CID 107388161
2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
CID 46525134
(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929296
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-propan-2-yl-2-quinolin-3-yloxypropan-1-amine
CID 107387828
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 98595933

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide?
The IUPAC name of (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide (CID 166236275) is (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide.
What is the SMILES notation for (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide?
The canonical SMILES for (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide is C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Oc1cnc2ccccc2c1.
What is the InChIKey of (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide?
The InChIKey is PANVFYKWPNHRSA-VHSSKADRSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-18-17(9-6-10-23-18)21-19(22)13(2)24-15-11-14-7-4-5-8-16(14)20-12-15/h3-5,7-8,11-13,17-18H,1,6,9-10H2,2H3,(H,21,22)/t13-,17+,18-/m0/s1.
What are the key properties of (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide?
(2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S,3R)-2-ethenyloxan-3-yl]-2-quinolin-3-yloxypropanamide is sourced from PubChem (CID 166236275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).