3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one

C22H13ClN2O3 — CID 138982502

IUPAC3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(-c3ccccc3)c(Nc3ccc(Cl)cn3)c12
InChIInChI=1S/C22H13ClN2O3/c23-14-10-11-17(24-12-14)25-19-18-21(28-20(19)13-6-2-1-3-7-13)15-8-4-5-9-16(15)27-22(18)26/h1-12H,(H,24,25)
InChIKeyWDZGCHFHRWAROE-UHFFFAOYSA-N
MW388.81 g/mol
LogP6.00
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one

3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one (PubChem CID 138982502) has the molecular formula C22H13ClN2O3 and a molecular weight of 388.81 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one
PubChem CID138982502
Molecular FormulaC22H13ClN2O3
Molecular Weight388.81 g/mol
Exact Mass388.06
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(-c3ccccc3)c(Nc3ccc(Cl)cn3)c12
InChIInChI=1S/C22H13ClN2O3/c23-14-10-11-17(24-12-14)25-19-18-21(28-20(19)13-6-2-1-3-7-13)15-8-4-5-9-16(15)27-22(18)26/h1-12H,(H,24,25)
InChIKeyWDZGCHFHRWAROE-UHFFFAOYSA-N
XLogP6.00
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.81
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
CID 24905989
N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
CID 135024757
3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one
CID 177406526
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 41078762
3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
CID 102407236
3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
CID 18887595
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
5-chloro-N-(2,6-dibromophenyl)pyridin-2-amine
CID 107603065
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
4-anilino-3-phenylchromen-2-one
CID 2785512
2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one
CID 18887562

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one (CID 138982502) is 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one is O=c1oc2ccccc2c2oc(-c3ccccc3)c(Nc3ccc(Cl)cn3)c12.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is WDZGCHFHRWAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2O3/c23-14-10-11-17(24-12-14)25-19-18-21(28-20(19)13-6-2-1-3-7-13)15-8-4-5-9-16(15)27-22(18)26/h1-12H,(H,24,25).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one?
3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 388.81 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]-2-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 138982502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).