isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride

C23H28ClN5O4 — CID 158102505

IUPACisoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride
SMILESCl.O=C(O)c1nccc2ccccc12.c1cnc(N2CCOCC2)c(OC2CCNCC2)n1
InChIInChI=1S/C13H20N4O2.C10H7NO2.ClH/c1-3-14-4-2-11(1)19-13-12(15-5-6-16-13)17-7-9-18-10-8-17;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h5-6,11,14H,1-4,7-10H2;1-6H,(H,12,13);1H
InChIKeyBDVWPSMCSAZQDX-UHFFFAOYSA-N
MW473.96 g/mol
LogP2.80
Rot. Bonds4

About isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride

isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride (PubChem CID 158102505) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride.

Molecular Properties

Compound Nameisoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride
PubChem CID158102505
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC Nameisoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride
SMILESCl.O=C(O)c1nccc2ccccc12.c1cnc(N2CCOCC2)c(OC2CCNCC2)n1
InChIInChI=1S/C13H20N4O2.C10H7NO2.ClH/c1-3-14-4-2-11(1)19-13-12(15-5-6-16-13)17-7-9-18-10-8-17;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h5-6,11,14H,1-4,7-10H2;1-6H,(H,12,13);1H
InChIKeyBDVWPSMCSAZQDX-UHFFFAOYSA-N
XLogP2.80
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone
CID 91914199
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91914180
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol
CID 161234552
isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 54670767
8-(isoquinoline-1-carbonyl)-1,4,8-oxadiazecan-5-one
CID 110200979
[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 95619677
(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91914182
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylisoquinoline-1-carboxamide
CID 110127623
1H-benzimidazol-2-yl-[4-[3-(1,4-oxazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208214

Frequently Asked Questions

What is the IUPAC name of isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride?
The IUPAC name of isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride (CID 158102505) is isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride.
What is the SMILES notation for isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride?
The canonical SMILES for isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride is Cl.O=C(O)c1nccc2ccccc12.c1cnc(N2CCOCC2)c(OC2CCNCC2)n1.
What is the InChIKey of isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride?
The InChIKey is BDVWPSMCSAZQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.C10H7NO2.ClH/c1-3-14-4-2-11(1)19-13-12(15-5-6-16-13)17-7-9-18-10-8-17;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h5-6,11,14H,1-4,7-10H2;1-6H,(H,12,13);1H.
What are the key properties of isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride?
isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride has a molecular weight of 473.96 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride is sourced from PubChem (CID 158102505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).