2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide

C22H16ClN3O3 — CID 51367152

IUPAC2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3Cl)oc12
InChIInChI=1S/C22H16ClN3O3/c1-28-18-10-6-7-14-13-15(21(27)26-19-11-4-5-12-24-19)22(29-20(14)18)25-17-9-3-2-8-16(17)23/h2-13H,1H3,(H,24,26,27)/b25-22-
InChIKeyGQQQXBQTTNSSRS-LVWGJNHUSA-N
MW405.84 g/mol
LogP4.97
Rot. Bonds4

About 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide

2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 51367152) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID51367152
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3Cl)oc12
InChIInChI=1S/C22H16ClN3O3/c1-28-18-10-6-7-14-13-15(21(27)26-19-11-4-5-12-24-19)22(29-20(14)18)25-17-9-3-2-8-16(17)23/h2-13H,1H3,(H,24,26,27)/b25-22-
InChIKeyGQQQXBQTTNSSRS-LVWGJNHUSA-N
XLogP4.97
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (CID 51367152) is 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3Cl)oc12.
What is the InChIKey of 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is GQQQXBQTTNSSRS-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-28-18-10-6-7-14-13-15(21(27)26-19-11-4-5-12-24-19)22(29-20(14)18)25-17-9-3-2-8-16(17)23/h2-13H,1H3,(H,24,26,27)/b25-22-.
What are the key properties of 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 51367152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).