N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide

C19H17N3O5S — CID 89238487

IUPACN-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3ccno3)o2)c2ccccc21
InChIInChI=1S/C19H17N3O5S/c1-2-18(23)21-14-10-12-22(15-6-4-3-5-13(14)15)28(24,25)19-8-7-16(26-19)17-9-11-20-27-17/h2-9,11,14H,1,10,12H2,(H,21,23)
InChIKeySFPGJDOVTMNJQA-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.88
Rot. Bonds5

About N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide

N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide (PubChem CID 89238487) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
PubChem CID89238487
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC NameN-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3ccno3)o2)c2ccccc21
InChIInChI=1S/C19H17N3O5S/c1-2-18(23)21-14-10-12-22(15-6-4-3-5-13(14)15)28(24,25)19-8-7-16(26-19)17-9-11-20-27-17/h2-9,11,14H,1,10,12H2,(H,21,23)
InChIKeySFPGJDOVTMNJQA-UHFFFAOYSA-N
XLogP2.88
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide (CID 89238487) is N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3ccno3)o2)c2ccccc21.
What is the InChIKey of N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
The InChIKey is SFPGJDOVTMNJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-2-18(23)21-14-10-12-22(15-6-4-3-5-13(14)15)28(24,25)19-8-7-16(26-19)17-9-11-20-27-17/h2-9,11,14H,1,10,12H2,(H,21,23).
What are the key properties of N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide has a molecular weight of 399.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide is sourced from PubChem (CID 89238487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).