N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide

C17H18N6O2 — CID 138559189

IUPACN-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)N4CCOCC4)cc3c2)nn1
InChIInChI=1S/C17H18N6O2/c1-22-11-15(20-21-22)12-2-3-13-10-18-16(9-14(13)8-12)19-17(24)23-4-6-25-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,18,19,24)
InChIKeyJJURHHGUKVCONW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.89
Rot. Bonds2

About N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide

N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide (PubChem CID 138559189) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
PubChem CID138559189
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)N4CCOCC4)cc3c2)nn1
InChIInChI=1S/C17H18N6O2/c1-22-11-15(20-21-22)12-2-3-13-10-18-16(9-14(13)8-12)19-17(24)23-4-6-25-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,18,19,24)
InChIKeyJJURHHGUKVCONW-UHFFFAOYSA-N
XLogP1.89
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-morpholin-4-ylethanone
CID 160671505
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
2-morpholin-4-yl-N-(6-pyridazin-3-ylisoquinolin-3-yl)acetamide
CID 138586345
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606080
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
4-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138580180
1-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-3-piperidin-1-ylbutan-2-one
CID 153255415
2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide (CID 138559189) is N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)N4CCOCC4)cc3c2)nn1.
What is the InChIKey of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide?
The InChIKey is JJURHHGUKVCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22-11-15(20-21-22)12-2-3-13-10-18-16(9-14(13)8-12)19-17(24)23-4-6-25-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,18,19,24).
What are the key properties of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide?
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 138559189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).