[6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

C18H19ClN4O3 — CID 56722759

IUPAC[6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESNCC1Cc2cc(-c3cncc(C(=O)N4CCOCC4)n3)cc(Cl)c2O1
InChIInChI=1S/C18H19ClN4O3/c19-14-7-11(5-12-6-13(8-20)26-17(12)14)15-9-21-10-16(22-15)18(24)23-1-3-25-4-2-23/h5,7,9-10,13H,1-4,6,8,20H2
InChIKeyPZTBQVOJDWIFAK-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.53
Rot. Bonds3

About [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

[6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 56722759) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID56722759
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name[6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESNCC1Cc2cc(-c3cncc(C(=O)N4CCOCC4)n3)cc(Cl)c2O1
InChIInChI=1S/C18H19ClN4O3/c19-14-7-11(5-12-6-13(8-20)26-17(12)14)15-9-21-10-16(22-15)18(24)23-1-3-25-4-2-23/h5,7,9-10,13H,1-4,6,8,20H2
InChIKeyPZTBQVOJDWIFAK-UHFFFAOYSA-N
XLogP1.53
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 45225344
CID 45225344
CID 45165502
CID 45165502
CID 45165612
CID 45165612
CID 56700773
CID 56700773
CID 56711637
CID 56711637
CID 56712903
CID 56712903
CID 56713381
CID 56713381
CID 45167268
CID 45167268
CID 45165729
CID 45165729
CID 45165965
CID 45165965
CID 45168728
CID 45168728
CID 45181959
CID 45181959

Frequently Asked Questions

What is the IUPAC name of [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 56722759) is [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is NCC1Cc2cc(-c3cncc(C(=O)N4CCOCC4)n3)cc(Cl)c2O1.
What is the InChIKey of [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PZTBQVOJDWIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-14-7-11(5-12-6-13(8-20)26-17(12)14)15-9-21-10-16(22-15)18(24)23-1-3-25-4-2-23/h5,7,9-10,13H,1-4,6,8,20H2.
What are the key properties of [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
[6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 374.83 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(aminomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56722759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).