(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone

C17H21N3OS — CID 697512

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C17H21N3OS/c18-14-12-10-11-6-2-3-7-13(11)19-16(12)22-15(14)17(21)20-8-4-1-5-9-20/h10H,1-9,18H2
InChIKeyYSWHOMJJWHENSF-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.38
Rot. Bonds1

About (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone (PubChem CID 697512) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
PubChem CID697512
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C17H21N3OS/c18-14-12-10-11-6-2-3-7-13(11)19-16(12)22-15(14)17(21)20-8-4-1-5-9-20/h10H,1-9,18H2
InChIKeyYSWHOMJJWHENSF-UHFFFAOYSA-N
XLogP3.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone (CID 697512) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is YSWHOMJJWHENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-14-12-10-11-6-2-3-7-13(11)19-16(12)22-15(14)17(21)20-8-4-1-5-9-20/h10H,1-9,18H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone?
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 315.44 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 697512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).