2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one

C18H17NO3 — CID 10017389

IUPAC2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one
SMILESCC1CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1
InChIInChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3
InChIKeyRFWCIJWQGHFULK-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.17
Rot. Bonds1

About 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one

2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one (PubChem CID 10017389) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one
PubChem CID10017389
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one
SMILESCC1CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1
InChIInChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3
InChIKeyRFWCIJWQGHFULK-UHFFFAOYSA-N
XLogP3.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one?
The IUPAC name of 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one (CID 10017389) is 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one is CC1CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one?
The InChIKey is RFWCIJWQGHFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one?
2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one is sourced from PubChem (CID 10017389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).