3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C20H18ClNO3 — CID 10641955

IUPAC3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3
InChIInChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyMMTKBQGOVDOJAE-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.01
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10641955) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10641955
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3
InChIInChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyMMTKBQGOVDOJAE-UHFFFAOYSA-N
XLogP4.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10641955) is 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is MMTKBQGOVDOJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 355.82 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10641955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).