morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone

C18H21N3O3 — CID 46360302

IUPACmorpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C18H21N3O3/c22-18(21-7-11-24-12-8-21)16-13-19-17(20-5-9-23-10-6-20)15-4-2-1-3-14(15)16/h1-4,13H,5-12H2
InChIKeySMFVHRTWWYIITF-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.54
Rot. Bonds2

About morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone

morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone (PubChem CID 46360302) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
PubChem CID46360302
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemorpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C18H21N3O3/c22-18(21-7-11-24-12-8-21)16-13-19-17(20-5-9-23-10-6-20)15-4-2-1-3-14(15)16/h1-4,13H,5-12H2
InChIKeySMFVHRTWWYIITF-UHFFFAOYSA-N
XLogP1.54
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 15992231
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
CID 46360427
[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 122174435
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360327
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457
[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 5052677
[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 22334042
N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360297

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone?
The IUPAC name of morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone (CID 46360302) is morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone is O=C(c1cnc(N2CCOCC2)c2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone?
The InChIKey is SMFVHRTWWYIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18(21-7-11-24-12-8-21)16-13-19-17(20-5-9-23-10-6-20)15-4-2-1-3-14(15)16/h1-4,13H,5-12H2.
What are the key properties of morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone?
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone is sourced from PubChem (CID 46360302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).