7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride

C20H20ClNO4 — CID 126476287

IUPAC7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
SMILESCl.O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12
InChIInChI=1S/C20H19NO4.ClH/c22-18-7-6-15-19(23)17(14-4-2-1-3-5-14)13-25-20(15)16(18)12-21-8-10-24-11-9-21;/h1-7,13,22H,8-12H2;1H
InChIKeyGRGICIRGYVZQHJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.42
Rot. Bonds3

About 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride

7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride (PubChem CID 126476287) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
PubChem CID126476287
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
SMILESCl.O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12
InChIInChI=1S/C20H19NO4.ClH/c22-18-7-6-15-19(23)17(14-4-2-1-3-5-14)13-25-20(15)16(18)12-21-8-10-24-11-9-21;/h1-7,13,22H,8-12H2;1H
InChIKeyGRGICIRGYVZQHJ-UHFFFAOYSA-N
XLogP3.42
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride?
The IUPAC name of 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride (CID 126476287) is 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride.
What is the SMILES notation for 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride?
The canonical SMILES for 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride is Cl.O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12.
What is the InChIKey of 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride?
The InChIKey is GRGICIRGYVZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4.ClH/c22-18-7-6-15-19(23)17(14-4-2-1-3-5-14)13-25-20(15)16(18)12-21-8-10-24-11-9-21;/h1-7,13,22H,8-12H2;1H.
What are the key properties of 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride?
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride has a molecular weight of 373.84 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride is sourced from PubChem (CID 126476287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).