4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine

C17H17N3OS — CID 154585877

IUPAC4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
SMILESCc1nc(-c2cc3ccccc3c(N3CCOCC3)n2)cs1
InChIInChI=1S/C17H17N3OS/c1-12-18-16(11-22-12)15-10-13-4-2-3-5-14(13)17(19-15)20-6-8-21-9-7-20/h2-5,10-11H,6-9H2,1H3
InChIKeyMNDJEJXXRYRZDA-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.50
Rot. Bonds2

About 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine

4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine (PubChem CID 154585877) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
PubChem CID154585877
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
SMILESCc1nc(-c2cc3ccccc3c(N3CCOCC3)n2)cs1
InChIInChI=1S/C17H17N3OS/c1-12-18-16(11-22-12)15-10-13-4-2-3-5-14(13)17(19-15)20-6-8-21-9-7-20/h2-5,10-11H,6-9H2,1H3
InChIKeyMNDJEJXXRYRZDA-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
CID 90681590
N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62285237
4-(1-bromoisoquinolin-3-yl)morpholine
CID 59264518
4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 32951384
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
2-[4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl]ethanol;dihydrochloride
CID 22503225
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47033056
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
CID 31125725
4-[5-[(E)-2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethenyl]-2-pyridinyl]morpholine;oxalic acid
CID 22502855
1-(4-ethylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)isoquinoline
CID 22503277

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
The IUPAC name of 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine (CID 154585877) is 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine.
What is the SMILES notation for 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
The canonical SMILES for 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine is Cc1nc(-c2cc3ccccc3c(N3CCOCC3)n2)cs1.
What is the InChIKey of 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
The InChIKey is MNDJEJXXRYRZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-18-16(11-22-12)15-10-13-4-2-3-5-14(13)17(19-15)20-6-8-21-9-7-20/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine has a molecular weight of 311.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine is sourced from PubChem (CID 154585877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).