3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

C21H14FN3S — CID 11725986

IUPAC3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
SMILESCc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)s1
InChIInChI=1S/C21H14FN3S/c1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25/h2-12H,1H3
InChIKeyUXFNCYPMXRMXCL-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.75
Rot. Bonds2

About 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (PubChem CID 11725986) has the molecular formula C21H14FN3S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.

Molecular Properties

Compound Name3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
PubChem CID11725986
Molecular FormulaC21H14FN3S
Molecular Weight359.43 g/mol
Exact Mass359.09
IUPAC Name3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
SMILESCc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)s1
InChIInChI=1S/C21H14FN3S/c1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25/h2-12H,1H3
InChIKeyUXFNCYPMXRMXCL-UHFFFAOYSA-N
XLogP5.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The IUPAC name of 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (CID 11725986) is 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.
What is the SMILES notation for 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The canonical SMILES for 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is Cc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)s1.
What is the InChIKey of 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The InChIKey is UXFNCYPMXRMXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3S/c1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25/h2-12H,1H3.
What are the key properties of 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline has a molecular weight of 359.43 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is sourced from PubChem (CID 11725986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).