(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol

C22H20N4OS — CID 138710960

IUPAC(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol
SMILESNc1c(C(O)N2CCCc3ccccc32)sc2nc(-c3cccnc3)ccc12
InChIInChI=1S/C22H20N4OS/c23-19-16-9-10-17(15-6-3-11-24-13-15)25-21(16)28-20(19)22(27)26-12-4-7-14-5-1-2-8-18(14)26/h1-3,5-6,8-11,13,22,27H,4,7,12,23H2
InChIKeyKMYURHUYYCUAGL-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.38
Rot. Bonds3

About (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol

(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol (PubChem CID 138710960) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol.

Molecular Properties

Compound Name(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol
PubChem CID138710960
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol
SMILESNc1c(C(O)N2CCCc3ccccc32)sc2nc(-c3cccnc3)ccc12
InChIInChI=1S/C22H20N4OS/c23-19-16-9-10-17(15-6-3-11-24-13-15)25-21(16)28-20(19)22(27)26-12-4-7-14-5-1-2-8-18(14)26/h1-3,5-6,8-11,13,22,27H,4,7,12,23H2
InChIKeyKMYURHUYYCUAGL-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol?
The IUPAC name of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol (CID 138710960) is (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol.
What is the SMILES notation for (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol?
The canonical SMILES for (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol is Nc1c(C(O)N2CCCc3ccccc32)sc2nc(-c3cccnc3)ccc12.
What is the InChIKey of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol?
The InChIKey is KMYURHUYYCUAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c23-19-16-9-10-17(15-6-3-11-24-13-15)25-21(16)28-20(19)22(27)26-12-4-7-14-5-1-2-8-18(14)26/h1-3,5-6,8-11,13,22,27H,4,7,12,23H2.
What are the key properties of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol?
(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol has a molecular weight of 388.50 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanol is sourced from PubChem (CID 138710960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).