[(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone

C20H25N3O2 — CID 143087268

IUPAC[(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1C(c2ccco2)Nc2ccc(C(=O)N3CCCCC3)cc2[C@H]1N
InChIInChI=1S/C20H25N3O2/c1-13-18(21)15-12-14(20(24)23-9-3-2-4-10-23)7-8-16(15)22-19(13)17-6-5-11-25-17/h5-8,11-13,18-19,22H,2-4,9-10,21H2,1H3/t13-,18+,19?/m1/s1
InChIKeyBLKASZYTIJRJGJ-OJBAKJFDSA-N
MW339.44 g/mol
LogP3.71
Rot. Bonds2

About [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone

[(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone (PubChem CID 143087268) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone
PubChem CID143087268
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1C(c2ccco2)Nc2ccc(C(=O)N3CCCCC3)cc2[C@H]1N
InChIInChI=1S/C20H25N3O2/c1-13-18(21)15-12-14(20(24)23-9-3-2-4-10-23)7-8-16(15)22-19(13)17-6-5-11-25-17/h5-8,11-13,18-19,22H,2-4,9-10,21H2,1H3/t13-,18+,19?/m1/s1
InChIKeyBLKASZYTIJRJGJ-OJBAKJFDSA-N
XLogP3.71
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone (CID 143087268) is [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone is C[C@H]1C(c2ccco2)Nc2ccc(C(=O)N3CCCCC3)cc2[C@H]1N.
What is the InChIKey of [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is BLKASZYTIJRJGJ-OJBAKJFDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-18(21)15-12-14(20(24)23-9-3-2-4-10-23)7-8-16(15)22-19(13)17-6-5-11-25-17/h5-8,11-13,18-19,22H,2-4,9-10,21H2,1H3/t13-,18+,19?/m1/s1.
What are the key properties of [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone?
[(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-2-(furan-2-yl)-3-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 143087268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).