8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline

C17H15ClF2N8 — CID 142423801

IUPAC8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline
SMILESCN1CC(n2c(Cn3cnnn3)nc3cnc4ccc(Cl)cc4c32)C(F)(F)C1
InChIInChI=1S/C17H15ClF2N8/c1-26-6-14(17(19,20)8-26)28-15(7-27-9-22-24-25-27)23-13-5-21-12-3-2-10(18)4-11(12)16(13)28/h2-5,9,14H,6-8H2,1H3
InChIKeyPZOOYRZEJBBJQG-UHFFFAOYSA-N
MW404.81 g/mol
LogP2.39
Rot. Bonds3

About 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline

8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline (PubChem CID 142423801) has the molecular formula C17H15ClF2N8 and a molecular weight of 404.81 g/mol. Its IUPAC name is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline
PubChem CID142423801
Molecular FormulaC17H15ClF2N8
Molecular Weight404.81 g/mol
Exact Mass404.11
IUPAC Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline
SMILESCN1CC(n2c(Cn3cnnn3)nc3cnc4ccc(Cl)cc4c32)C(F)(F)C1
InChIInChI=1S/C17H15ClF2N8/c1-26-6-14(17(19,20)8-26)28-15(7-27-9-22-24-25-27)23-13-5-21-12-3-2-10(18)4-11(12)16(13)28/h2-5,9,14H,6-8H2,1H3
InChIKeyPZOOYRZEJBBJQG-UHFFFAOYSA-N
XLogP2.39
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline (CID 142423801) is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline is CN1CC(n2c(Cn3cnnn3)nc3cnc4ccc(Cl)cc4c32)C(F)(F)C1.
What is the InChIKey of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline?
The InChIKey is PZOOYRZEJBBJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N8/c1-26-6-14(17(19,20)8-26)28-15(7-27-9-22-24-25-27)23-13-5-21-12-3-2-10(18)4-11(12)16(13)28/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline?
8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline has a molecular weight of 404.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(tetrazol-1-ylmethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).