7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one

C19H13NO2 — CID 71384416

IUPAC7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
SMILESCc1ccc2oc3nc(-c4ccccc4)ccc3c(=O)c2c1
InChIInChI=1S/C19H13NO2/c1-12-7-10-17-15(11-12)18(21)14-8-9-16(20-19(14)22-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyXLNGASDJWWHZRI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.32
Rot. Bonds1

About 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one

7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one (PubChem CID 71384416) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
PubChem CID71384416
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
SMILESCc1ccc2oc3nc(-c4ccccc4)ccc3c(=O)c2c1
InChIInChI=1S/C19H13NO2/c1-12-7-10-17-15(11-12)18(21)14-8-9-16(20-19(14)22-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyXLNGASDJWWHZRI-UHFFFAOYSA-N
XLogP4.32
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 123326805
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CID 164665609
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
9,24-dimethyl-5,28-dioxa-3,30-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6(11),7,9,14,18,20(29),22(27),23,25-dodecaene-12,21-dione
CID 177440034
6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one
CID 139229443
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 142908472
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 725098
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
CID 135479945
7-methyl-2,4-diphenyl-[1]benzofuro[3,2-b]pyridine
CID 156696990
7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
CID 12898481

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one (CID 71384416) is 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one is Cc1ccc2oc3nc(-c4ccccc4)ccc3c(=O)c2c1.
What is the InChIKey of 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one?
The InChIKey is XLNGASDJWWHZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c1-12-7-10-17-15(11-12)18(21)14-8-9-16(20-19(14)22-17)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one?
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one has a molecular weight of 287.32 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 71384416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).