(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C16H13ClN2O5 — CID 7195010

IUPAC(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCc1cc2oc(=O)cc(COC(=O)C3=NNC(=O)CC3)c2cc1Cl
InChIInChI=1S/C16H13ClN2O5/c1-8-4-13-10(6-11(8)17)9(5-15(21)24-13)7-23-16(22)12-2-3-14(20)19-18-12/h4-6H,2-3,7H2,1H3,(H,19,20)
InChIKeyCDXZXZNCZPJKMP-UHFFFAOYSA-N
MW348.74 g/mol
LogP2.06
Rot. Bonds3

About (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7195010) has the molecular formula C16H13ClN2O5 and a molecular weight of 348.74 g/mol. Its IUPAC name is (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7195010
Molecular FormulaC16H13ClN2O5
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC Name(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCc1cc2oc(=O)cc(COC(=O)C3=NNC(=O)CC3)c2cc1Cl
InChIInChI=1S/C16H13ClN2O5/c1-8-4-13-10(6-11(8)17)9(5-15(21)24-13)7-23-16(22)12-2-3-14(20)19-18-12/h4-6H,2-3,7H2,1H3,(H,19,20)
InChIKeyCDXZXZNCZPJKMP-UHFFFAOYSA-N
XLogP2.06
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate 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-7-methyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549575
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8021608
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469234
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methoxyacetate
CID 7775949
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl pyrazine-2-carboxylate
CID 7702436
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate
CID 8785162
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-methoxybenzoate
CID 7861892
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-ethoxyacetate
CID 8850704
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-benzofuran-2-carboxylate
CID 7193771
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(methoxymethyl)benzoate
CID 7587927
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-chlorobenzoate
CID 7477032
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-chloro-6-fluorobenzoate
CID 7820522

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7195010) is (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is Cc1cc2oc(=O)cc(COC(=O)C3=NNC(=O)CC3)c2cc1Cl.
What is the InChIKey of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is CDXZXZNCZPJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5/c1-8-4-13-10(6-11(8)17)9(5-15(21)24-13)7-23-16(22)12-2-3-14(20)19-18-12/h4-6H,2-3,7H2,1H3,(H,19,20).
What are the key properties of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 348.74 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7195010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).