6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one

C24H24N4O2 — CID 70654639

IUPAC6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC(Oc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1)C1CC1
InChIInChI=1S/C24H24N4O2/c1-14(15-2-3-15)30-19-7-4-16(5-8-19)21-13-27-23(25)22(28-21)18-6-9-20-17(12-18)10-11-26-24(20)29/h4-9,12-15H,2-3,10-11H2,1H3,(H2,25,27)(H,26,29)
InChIKeyPIBBGQXUWFPWDI-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.86
Rot. Bonds5

About 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one

6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 70654639) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID70654639
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC(Oc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1)C1CC1
InChIInChI=1S/C24H24N4O2/c1-14(15-2-3-15)30-19-7-4-16(5-8-19)21-13-27-23(25)22(28-21)18-6-9-20-17(12-18)10-11-26-24(20)29/h4-9,12-15H,2-3,10-11H2,1H3,(H2,25,27)(H,26,29)
InChIKeyPIBBGQXUWFPWDI-UHFFFAOYSA-N
XLogP3.86
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

Vuf8504
CID 10247610
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N-[5-(6-amino-2-pyridinyl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
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N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-4-propan-2-yloxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 70654639) is 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one is CC(Oc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1)C1CC1.
What is the InChIKey of 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is PIBBGQXUWFPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14(15-2-3-15)30-19-7-4-16(5-8-19)21-13-27-23(25)22(28-21)18-6-9-20-17(12-18)10-11-26-24(20)29/h4-9,12-15H,2-3,10-11H2,1H3,(H2,25,27)(H,26,29).
What are the key properties of 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 400.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-[4-(1-cyclopropylethoxy)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 70654639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).