8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide

C16H18N2O3S — CID 671601

IUPAC8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C16H18N2O3S/c1-4-11-18(12-5-2)22(19,20)15-9-8-14(21-3)16-13(15)7-6-10-17-16/h4-10H,1-2,11-12H2,3H3
InChIKeyWPZXULIAUBAUGW-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.61
Rot. Bonds7

About 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide

8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide (PubChem CID 671601) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide
PubChem CID671601
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C16H18N2O3S/c1-4-11-18(12-5-2)22(19,20)15-9-8-14(21-3)16-13(15)7-6-10-17-16/h4-10H,1-2,11-12H2,3H3
InChIKeyWPZXULIAUBAUGW-UHFFFAOYSA-N
XLogP2.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide (CID 671601) is 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide?
The InChIKey is WPZXULIAUBAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-11-18(12-5-2)22(19,20)15-9-8-14(21-3)16-13(15)7-6-10-17-16/h4-10H,1-2,11-12H2,3H3.
What are the key properties of 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide?
8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide is sourced from PubChem (CID 671601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).