6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

C16H16Cl2N2O4 — CID 1143463

IUPAC6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C16H16Cl2N2O4/c17-11-7-10-8-12(16(22)24-14(10)13(18)9-11)15(21)19-1-2-20-3-5-23-6-4-20/h7-9H,1-6H2,(H,19,21)
InChIKeyUSZJTVFPAYDWRR-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.16
Rot. Bonds4

About 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (PubChem CID 1143463) has the molecular formula C16H16Cl2N2O4 and a molecular weight of 371.22 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
PubChem CID1143463
Molecular FormulaC16H16Cl2N2O4
Molecular Weight371.22 g/mol
Exact Mass370.05
IUPAC Name6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C16H16Cl2N2O4/c17-11-7-10-8-12(16(22)24-14(10)13(18)9-11)15(21)19-1-2-20-3-5-23-6-4-20/h7-9H,1-6H2,(H,19,21)
InChIKeyUSZJTVFPAYDWRR-UHFFFAOYSA-N
XLogP2.16
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-Chloro-3-(morpholine-4-carbonyl)chromen-2-one
CID 976955
6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid 1-methyl-piperidin-4-yl ester
CID 991766
N-(2-morpholin-4-ylethyl)-2-oxo-2H-chromene-3-carboxamide
CID 356320
(6,8-dichloro-2-oxochromen-3-yl)-N-(2-methoxyethyl)carboxamide
CID 2909035
6,8-Dichloro-3-(morpholine-4-carbonyl)-chromen-2-one
CID 649652
6,8-Dichloro-3-(2,6-dimethyl-morpholine-4-carbonyl)-chromen-2-one
CID 653775
6,8-dichloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide
CID 2294455
8-bromo-6-chloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 127042463
6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
CID 127042487
Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate
CID 357387
6,8-Dichloro-3-(piperidine-1-carbonyl)chromen-2-one
CID 849949
Methyl 2-[(6-chloro-2-oxochromen-3-yl)carbonylamino]acetate
CID 1245881

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (CID 1143463) is 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is O=C(NCCN1CCOCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The InChIKey is USZJTVFPAYDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4/c17-11-7-10-8-12(16(22)24-14(10)13(18)9-11)15(21)19-1-2-20-3-5-23-6-4-20/h7-9H,1-6H2,(H,19,21).
What are the key properties of 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide has a molecular weight of 371.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1143463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).