7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride

C15H18ClNO4 — CID 21159653

IUPAC7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
SMILESCc1cc2ccc(O)c(CN3CCOCC3)c2oc1=O.Cl
InChIInChI=1S/C15H17NO4.ClH/c1-10-8-11-2-3-13(17)12(14(11)20-15(10)18)9-16-4-6-19-7-5-16;/h2-3,8,17H,4-7,9H2,1H3;1H
InChIKeyZKHJZSATQSCDGO-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.06
Rot. Bonds2

About 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride

7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride (PubChem CID 21159653) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride.

Molecular Properties

Compound Name7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
PubChem CID21159653
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
SMILESCc1cc2ccc(O)c(CN3CCOCC3)c2oc1=O.Cl
InChIInChI=1S/C15H17NO4.ClH/c1-10-8-11-2-3-13(17)12(14(11)20-15(10)18)9-16-4-6-19-7-5-16;/h2-3,8,17H,4-7,9H2,1H3;1H
InChIKeyZKHJZSATQSCDGO-UHFFFAOYSA-N
XLogP2.06
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride
CID 21159655
3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
CID 5392010
8-[(dimethylamino)methyl]-7-hydroxy-3-methylchromen-2-one;hydrochloride
CID 21159651
7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)chromen-2-one
CID 6263219
7-hydroxy-3,8-dimethylchromen-2-one
CID 5483179
7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 5417114
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenylchromen-2-one
CID 7205030
8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxychromen-2-one
CID 6217143
1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
CID 53314502
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 5350076
3-(2,5-dimethoxyphenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 6235877
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride?
The IUPAC name of 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride (CID 21159653) is 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride.
What is the SMILES notation for 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride?
The canonical SMILES for 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride is Cc1cc2ccc(O)c(CN3CCOCC3)c2oc1=O.Cl.
What is the InChIKey of 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride?
The InChIKey is ZKHJZSATQSCDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4.ClH/c1-10-8-11-2-3-13(17)12(14(11)20-15(10)18)9-16-4-6-19-7-5-16;/h2-3,8,17H,4-7,9H2,1H3;1H.
What are the key properties of 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride?
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride has a molecular weight of 311.76 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride is sourced from PubChem (CID 21159653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).