1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

C21H24N4O3S — CID 661594

IUPAC1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C21H24N4O3S/c22-17-16-14-5-1-2-6-15(14)19(25-7-10-27-11-8-25)24-21(16)29-18(17)20(26)23-12-13-4-3-9-28-13/h3-4,9H,1-2,5-8,10-12,22H2,(H,23,26)
InChIKeyUWWZTRMAZNVDLW-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.12
Rot. Bonds4

About 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 661594) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID661594
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C21H24N4O3S/c22-17-16-14-5-1-2-6-15(14)19(25-7-10-27-11-8-25)24-21(16)29-18(17)20(26)23-12-13-4-3-9-28-13/h3-4,9H,1-2,5-8,10-12,22H2,(H,23,26)
InChIKeyUWWZTRMAZNVDLW-UHFFFAOYSA-N
XLogP3.12
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 2984911
N-(furan-2-ylmethyl)-8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 4670713
1-amino-N-(oxolan-2-ylmethyl)-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 4903390
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583
methyl 1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 915749
(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
CID 39047303
1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide
CID 39035691
1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile
CID 687349
3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865148
3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 1179247
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 661594) is 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is Nc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is UWWZTRMAZNVDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c22-17-16-14-5-1-2-6-15(14)19(25-7-10-27-11-8-25)24-21(16)29-18(17)20(26)23-12-13-4-3-9-28-13/h3-4,9H,1-2,5-8,10-12,22H2,(H,23,26).
What are the key properties of 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 661594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).