7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride

C19H23ClN2O4 — CID 45371024

IUPAC7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride
SMILESCc1ccc2c(=O)cc(C(=O)N3CCOC34CCN(C)CC4)oc2c1.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-13-3-4-14-15(22)12-17(25-16(14)11-13)18(23)21-9-10-24-19(21)5-7-20(2)8-6-19;/h3-4,11-12H,5-10H2,1-2H3;1H
InChIKeyAURURINPGWJUTJ-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.42
Rot. Bonds1

About 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride

7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride (PubChem CID 45371024) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride
PubChem CID45371024
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride
SMILESCc1ccc2c(=O)cc(C(=O)N3CCOC34CCN(C)CC4)oc2c1.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-13-3-4-14-15(22)12-17(25-16(14)11-13)18(23)21-9-10-24-19(21)5-7-20(2)8-6-19;/h3-4,11-12H,5-10H2,1-2H3;1H
InChIKeyAURURINPGWJUTJ-UHFFFAOYSA-N
XLogP2.42
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride?
The IUPAC name of 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride (CID 45371024) is 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride?
The canonical SMILES for 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride is Cc1ccc2c(=O)cc(C(=O)N3CCOC34CCN(C)CC4)oc2c1.Cl.
What is the InChIKey of 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride?
The InChIKey is AURURINPGWJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.ClH/c1-13-3-4-14-15(22)12-17(25-16(14)11-13)18(23)21-9-10-24-19(21)5-7-20(2)8-6-19;/h3-4,11-12H,5-10H2,1-2H3;1H.
What are the key properties of 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride?
7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride is sourced from PubChem (CID 45371024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).