6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine

C19H22N4O4 — CID 68858014

IUPAC6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine
SMILESCOc1cc2cc(Nc3cc(C)[nH]n3)nc(O[C@H]3CCOC3)c2cc1OC
InChIInChI=1S/C19H22N4O4/c1-11-6-18(23-22-11)20-17-8-12-7-15(24-2)16(25-3)9-14(12)19(21-17)27-13-4-5-26-10-13/h6-9,13H,4-5,10H2,1-3H3,(H2,20,21,22,23)/t13-/m0/s1
InChIKeyJXXXJFWGKUTEOE-ZDUSSCGKSA-N
MW370.41 g/mol
LogP3.19
Rot. Bonds6

About 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine

6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine (PubChem CID 68858014) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine
PubChem CID68858014
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine
SMILESCOc1cc2cc(Nc3cc(C)[nH]n3)nc(O[C@H]3CCOC3)c2cc1OC
InChIInChI=1S/C19H22N4O4/c1-11-6-18(23-22-11)20-17-8-12-7-15(24-2)16(25-3)9-14(12)19(21-17)27-13-4-5-26-10-13/h6-9,13H,4-5,10H2,1-3H3,(H2,20,21,22,23)/t13-/m0/s1
InChIKeyJXXXJFWGKUTEOE-ZDUSSCGKSA-N
XLogP3.19
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine?
The IUPAC name of 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine (CID 68858014) is 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine is COc1cc2cc(Nc3cc(C)[nH]n3)nc(O[C@H]3CCOC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine?
The InChIKey is JXXXJFWGKUTEOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-6-18(23-22-11)20-17-8-12-7-15(24-2)16(25-3)9-14(12)19(21-17)27-13-4-5-26-10-13/h6-9,13H,4-5,10H2,1-3H3,(H2,20,21,22,23)/t13-/m0/s1.
What are the key properties of 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine?
6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine has a molecular weight of 370.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-3-amine is sourced from PubChem (CID 68858014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).