1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

C20H20N4O2S — CID 122691461

IUPAC1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
SMILESNc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3
InChIInChI=1S/C20H20N4O2S/c21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15/h5-6,9H,1-4,7-8,10,21H2,(H,22,25)
InChIKeyWPDJPFXBPNAEML-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.02
Rot. Bonds3

About 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (PubChem CID 122691461) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
PubChem CID122691461
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
SMILESNc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3
InChIInChI=1S/C20H20N4O2S/c21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15/h5-6,9H,1-4,7-8,10,21H2,(H,22,25)
InChIKeyWPDJPFXBPNAEML-UHFFFAOYSA-N
XLogP3.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?
The IUPAC name of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (CID 122691461) is 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.
What is the SMILES notation for 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?
The canonical SMILES for 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3.
What is the InChIKey of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?
The InChIKey is WPDJPFXBPNAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15/h5-6,9H,1-4,7-8,10,21H2,(H,22,25).
What are the key properties of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?
1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is sourced from PubChem (CID 122691461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).