7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride

C17H21ClNO4- — CID 21228801

IUPAC7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride
SMILESO=C1c2cc3c(cc2CCC1CN1CCOCC1)OCCO3.[Cl-]
InChIInChI=1S/C17H21NO4.ClH/c19-17-13(11-18-3-5-20-6-4-18)2-1-12-9-15-16(10-14(12)17)22-8-7-21-15;/h9-10,13H,1-8,11H2;1H/p-1
InChIKeyJHJCTDHEXSUMDH-UHFFFAOYSA-M
MW338.81 g/mol
LogP-1.46
Rot. Bonds2

About 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride

7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride (PubChem CID 21228801) has the molecular formula C17H21ClNO4- and a molecular weight of 338.81 g/mol. Its IUPAC name is 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride.

Molecular Properties

Compound Name7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride
PubChem CID21228801
Molecular FormulaC17H21ClNO4-
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC Name7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride
SMILESO=C1c2cc3c(cc2CCC1CN1CCOCC1)OCCO3.[Cl-]
InChIInChI=1S/C17H21NO4.ClH/c19-17-13(11-18-3-5-20-6-4-18)2-1-12-9-15-16(10-14(12)17)22-8-7-21-15;/h9-10,13H,1-8,11H2;1H/p-1
InChIKeyJHJCTDHEXSUMDH-UHFFFAOYSA-M
XLogP-1.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(morpholin-4-ylmethyl)-2,3,4,8,9,10-hexahydrobenzo[h][1,5]benzodioxepin-7-one
CID 3944688
1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one
CID 86151351
(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
CID 97355462
1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 105493140
2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-one
CID 3053410
2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride
CID 53422915
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
7-methoxy-4-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82248208
2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 82096986
7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
CID 110457267
(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92857641
(2Z,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92530871

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride?
The IUPAC name of 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride (CID 21228801) is 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride.
What is the SMILES notation for 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride?
The canonical SMILES for 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride is O=C1c2cc3c(cc2CCC1CN1CCOCC1)OCCO3.[Cl-].
What is the InChIKey of 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride?
The InChIKey is JHJCTDHEXSUMDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21NO4.ClH/c19-17-13(11-18-3-5-20-6-4-18)2-1-12-9-15-16(10-14(12)17)22-8-7-21-15;/h9-10,13H,1-8,11H2;1H/p-1.
What are the key properties of 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride?
7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride has a molecular weight of 338.81 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride is sourced from PubChem (CID 21228801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).