N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine

C17H13N3S — CID 19746083

IUPACN-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1c2c(nc3ccccc13)CSC2)\c1cccnc1
InChIInChI=1S/C17H13N3S/c1-2-6-15-13(5-1)17(14-10-21-11-16(14)20-15)19-9-12-4-3-7-18-8-12/h1-9H,10-11H2/b19-9+
InChIKeyUDQIKKUACOIRSV-DJKKODMXSA-N
MW291.38 g/mol
LogP4.13
Rot. Bonds2

About N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine

N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine (PubChem CID 19746083) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine
PubChem CID19746083
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC NameN-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1c2c(nc3ccccc13)CSC2)\c1cccnc1
InChIInChI=1S/C17H13N3S/c1-2-6-15-13(5-1)17(14-10-21-11-16(14)20-15)19-9-12-4-3-7-18-8-12/h1-9H,10-11H2/b19-9+
InChIKeyUDQIKKUACOIRSV-DJKKODMXSA-N
XLogP4.13
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine (CID 19746083) is N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine is C(=N/c1c2c(nc3ccccc13)CSC2)\c1cccnc1.
What is the InChIKey of N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine?
The InChIKey is UDQIKKUACOIRSV-DJKKODMXSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-15-13(5-1)17(14-10-21-11-16(14)20-15)19-9-12-4-3-7-18-8-12/h1-9H,10-11H2/b19-9+.
What are the key properties of N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine?
N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine has a molecular weight of 291.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 19746083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).