N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide

C18H20N2O3 — CID 135373578

IUPACN-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCC2CCCCO2)c2ncccc12
InChIInChI=1S/C18H20N2O3/c1-2-17(21)20-15-8-9-16(18-14(15)7-5-10-19-18)23-12-13-6-3-4-11-22-13/h2,5,7-10,13H,1,3-4,6,11-12H2,(H,20,21)
InChIKeyFYIDAAUDCXZJPO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.31
Rot. Bonds5

About N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide

N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide (PubChem CID 135373578) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide
PubChem CID135373578
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCC2CCCCO2)c2ncccc12
InChIInChI=1S/C18H20N2O3/c1-2-17(21)20-15-8-9-16(18-14(15)7-5-10-19-18)23-12-13-6-3-4-11-22-13/h2,5,7-10,13H,1,3-4,6,11-12H2,(H,20,21)
InChIKeyFYIDAAUDCXZJPO-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide?
The IUPAC name of N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide (CID 135373578) is N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide.
What is the SMILES notation for N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide?
The canonical SMILES for N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc(OCC2CCCCO2)c2ncccc12.
What is the InChIKey of N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide?
The InChIKey is FYIDAAUDCXZJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-17(21)20-15-8-9-16(18-14(15)7-5-10-19-18)23-12-13-6-3-4-11-22-13/h2,5,7-10,13H,1,3-4,6,11-12H2,(H,20,21).
What are the key properties of N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide?
N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide is sourced from PubChem (CID 135373578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).