9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide

C16H16ClN3O3S — CID 5302217

IUPAC9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-3-19(4-2)24(22,23)14-9-11-13(10-12(14)17)20-8-6-5-7-15(20)18-16(11)21/h5-10H,3-4H2,1-2H3
InChIKeyZMZLVAJGUBHKML-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.53
Rot. Bonds4

About 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide

9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide (PubChem CID 5302217) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide.

Molecular Properties

Compound Name9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide
PubChem CID5302217
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-3-19(4-2)24(22,23)14-9-11-13(10-12(14)17)20-8-6-5-7-15(20)18-16(11)21/h5-10H,3-4H2,1-2H3
InChIKeyZMZLVAJGUBHKML-UHFFFAOYSA-N
XLogP2.53
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide?
The IUPAC name of 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide (CID 5302217) is 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide.
What is the SMILES notation for 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide?
The canonical SMILES for 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide is CCN(CC)S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl.
What is the InChIKey of 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide?
The InChIKey is ZMZLVAJGUBHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-3-19(4-2)24(22,23)14-9-11-13(10-12(14)17)20-8-6-5-7-15(20)18-16(11)21/h5-10H,3-4H2,1-2H3.
What are the key properties of 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide?
9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide has a molecular weight of 365.84 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N,N-diethyl-6-oxopyrido[1,2-a]quinazoline-8-sulfonamide is sourced from PubChem (CID 5302217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).